Academic literature on the topic 'Born generalizado'
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Journal articles on the topic "Born generalizado"
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Rodríguez, Juan Carlos. "Subjetividad y subjetivación en la cultura de hoy (notas sobre Foucault y Heidegger y otras cuestiones anexas)." Tropelías: Revista de Teoría de la Literatura y Literatura Comparada 1, no. 18 (2012): 16. http://dx.doi.org/10.26754/ojs_tropelias/tropelias.201218546.
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En este ensayo sólo se pretende esbozar una serie de matices acerca de la teoría y la práctica literarias (y del pensar de hoy, en las condiciones en que existe). Sobre todo este matiz: ¿nacemos libres (de acuerdo con la supuesta Naturaleza humana natural) o nacemos capitalistas (de acuerdo con los presupuestos capitalistas de la libertad)? Si nacemos naturalmente libres, eso quiere decir que tenemos la subjetividad ya naturalmente hecha, sólo que a veces oprimida por el sistema; si nacemos capitalistas eso quiere decir que nuestro inconsciente y nuestro lenguaje están ya configurados por el sistema desde el primer momento. Como en el panorama de hoy —y desde más de dos siglos antes— se piensa masivamente que nacemos “naturalmente libres”, a partir de ahí el ensayo intenta rastrear algo de la trayectoria de Foucault (y la influencia en él del Horizonte Fenomenológico y de Heidegger) hasta llegar a la final defensa foucaultiana —lógica— del neoliberalismo que hoy rige por todas partes (incluso produciéndose un llamado “efecto Foucault”). Igualmente se esbozan las influencias del Hegel de Kojève y el contraste entre Foucault y Richard Rorty a propósito del Constructivismo lingüístico y de los Estudios culturales. Asimismo algún otro matiz a propósito de que el aserto foucaultiano (pero en absoluto suyo sino plenamente generalizado) acerca de que “la realidad no existe y sólo existe el lenguaje”, es decir, la “auto-referencialidad reflexiva” del discurso, se haya convertido hoy en el quinto as de la baraja en cualquier sentido cultural. Se concluye con otro mero esbozo de lo que podría plantearse si se partiera del hecho de que “nacemos capitalistas”. Como este pensamiento distinto resulta —hoy por hoy— casi imposible, nos basta con dejarlo apuntado. Palabras clave: yo libre, sujeto/sistema, Estudios culturales, constructivismo lingüístico, neoliberalismo, “efecto Foucault”. This essay just aims to outline a number of nuances concerning literary theory and practice (and today’s thinking in the conditions in which it exists). The main focus is on the following nuance: are we born free (according to some natural human nature) or are we born capitalists (according to the capitalist notion of freedom)? If we are born naturally free, that means that our subjectivity is already naturally made, and just sometimes repressed by the system; if we are born capitalists, our subconscious and our language are determined by the system from the outset. Because nowadays — and since more than two centuries ago — there is widespread agreement that we are born “naturally free”, this essay adopts that assumption to trace a few aspects of Foucault’s work (and the influence he received from the Phenomenological Horizon and from Heidegger) to reach the final Foucauldian defence — logic — of neoliberalism that rules everywhere today (even giving rise to a so-called “Foucault effect”). Likewise, the essay outlines the influences of Kojève’s Hegel and the contrast between Foucault and Richard Rorty concerning Linguistic constructivism and Cultural studies. Also, it outlines some other nuances with regard to the fact that the Foucauldian (though by no means his but fully generalised) assertion that “reality does not exist and only language does” — that is to say, the “self-reflexive referentiality” of discourse — has become the fifth ace in any cultural sense today. The essay concludes with another mere sketch of what could be posed if we were to assume that we are born capitalists. Because this alternative thinking turns out to be almost impossible nowadays, our brief sketch suffices.Keywords: Free self, subject/system, cultural studies, linguistic constructivism, neoliberalism, Foucault effect.
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Krapovickas, Antonio. "Gert Guenther Hatschbach (1923-2013)." Bonplandia 22, no. 2 (2013): 217. http://dx.doi.org/10.30972/bon.2221251.
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Gert Guenther Hatschbach falleció en Curitiba, su ciudad natal, el 16 de abril de 2013, a los 89 años de edad, víctima de una infección generalizada. Había nacido el 22 de agosto de 1923 y llegó a ser uno de los más destacados botánicos de Brasil
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Lee, Michael S., Freddie R. Salsbury, and Charles L. Brooks. "Novel generalized Born methods." Journal of Chemical Physics 116, no. 24 (2002): 10606–14. http://dx.doi.org/10.1063/1.1480013.
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Zhang, Wei, Tingjun Hou, and Xiaojie Xu. "New Born Radii Deriving Method for Generalized Born Model." Journal of Chemical Information and Modeling 45, no. 1 (2005): 88–93. http://dx.doi.org/10.1021/ci0497408.
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Marenich, Aleksandr V., Christopher J. Cramer, and Donald G. Truhlar. "Generalized Born Solvation Model SM12." Journal of Chemical Theory and Computation 9, no. 1 (2012): 609–20. http://dx.doi.org/10.1021/ct300900e.
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Comelli, Denis. "Generalized Born Infeld gravitational action." Journal of Physics: Conference Series 33 (March 1, 2006): 303–8. http://dx.doi.org/10.1088/1742-6596/33/1/035.
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Kruglov, S. I. "On generalized Born–Infeld electrodynamics." Journal of Physics A: Mathematical and Theoretical 43, no. 37 (2010): 375402. http://dx.doi.org/10.1088/1751-8113/43/37/375402.
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Xu, Zhenli, Xiaolin Cheng, and Haizhao Yang. "Treecode-based generalized Born method." Journal of Chemical Physics 134, no. 6 (2011): 064107. http://dx.doi.org/10.1063/1.3552945.
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Schuster, Gerard T. "A hybrid BIE+Born series modeling scheme: Generalized Born series." Journal of the Acoustical Society of America 77, no. 3 (1985): 865–79. http://dx.doi.org/10.1121/1.392055.
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Fogolari, Federico, Alessandra Corazza, and Gennaro Esposito. "Generalized Born forces: Surface integral formulation." Journal of Chemical Physics 138, no. 5 (2013): 054112. http://dx.doi.org/10.1063/1.4789537.
Full textDissertations / Theses on the topic "Born generalizado"
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Shimizu, Karina. "Estudo do método de equalização da eletronegatividade no cálculo de energias livres de solvatação GBEEM-ELR." Universidade de São Paulo, 2005. http://www.teses.usp.br/teses/disponiveis/46/46132/tde-14092006-174816/.
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O método de equalização da eletronegatividade (Electronegativity Equalization Method, EEM), fundamentado em teoria do funcional da densidade eletrônica, foi combinado à aproximação de Born generalizada para moléculas (Generalized Born, GB), e denominado GBEEM (Dias et al., 2002). Os momentos de dipolo permanente no vácuo e em meio condensado (constante dielétrica ~ 80), e distribuições de cargas atômicas, mostraram boa concordância com modelo SM5.4 baseado em cargas CM1 em nível PM3 (12 moléculas, correspondendo a 29 cargas atômicas). Este resultado é interessante devido à simplicidade inerente do GBEEM e seu baixo custo computacional. Uma nova parametrização das durezas e eletronegatividades foi feita com o objetivo de melhorar a distribuição de cargas atômicas em moléculas isoladas em relação ao modelo CM1. Um conjunto de 250 estruturas/cargas PM3/CM1 de moléculas neutras pertencentes a 13 funções orgânicas foi utilizado como alvo na parametrização, utilizando uma metodologia Algoritmo Genético/Simplex de pesquisa de mínimos (Menegon et al., 2002). Boa concordância entre os modelos foi obtida. A validação da parametrização e do EEM foi efetuada usando moléculas bifuncionais (tetrapeptídeo e trisacarídeo) mostrando também boa concordância e robustez. Entretanto, a análise do momento de dipolo permanente das 250 moléculas mostrou uma séria limitação do EEM, e portanto do GBEEM, apesar da boa concordância entre as cargas EEM e CM1. O EEM superestimou os momentos de dipolo. Tal fato pode decorrer de vários fatores, dentre os quais, o truncamento da expansão nas cargas atômicas e ausência de tratamento explícito de interação de troca (exchange). Foi sugerida uma aproximação que restringe a transferência de carga entre grupos na molécula que contornou a limitação do método na predição de momentos de dipolo no vácuo e meio condensado (Shimizu et al., 2004). Com base nos recentes resultados, foi desenvolvido um modelo de solvatação baseado no GBEEM e no modelo de Floris-Tomasi. A calibração foi feita com um conjunto de 62 moléculas neutras (13 grupos funcionais) tendo como alvo as energias livres de hidratação experimentais. Os resultados apresentaram um desvio médio absoluto de 0,71 kcal/mol em relação aos valores experimentais.<br>The electronegativity equalization method (EEM), founded on density functional theory (DFT), has been combined to the generalized Born approximation (GB) for molecules, and called GBEEM (Dias et al., 2002). The permanent dipole moment in vacuum and condensed phase (dieletric constant ~ 80), and atomic charges distributions, have shown good agreement with SM5.4 solvation model based on CM1 charges at PM3 level (12 molecules, corresponding to 29 atomic charges). This result is interesting due the simplicity of GBEEM and its low computational cost. A new parameterization of the hardness and electronegativities was done with the aim to improve the atomic charges distribution on isolated molecules in comparison to CM1 model. The training set with 250 PM3/CM1 structures/charges of neutral molecules in 13 different organic functions was employed as target in the parameterization. A new optimization approach composed of Genetic and Simplex algorithms was used to fit parameters (Menegon et al., 2002). Good agreement between the models was found. The validation of parameterization and EEM was done using bifunctional molecules (tri-glucose and tetra-peptide) showing good agreement and robustness. However, analysis of permanent dipole moments of 250 molecules shown a serious caveat of EEM and GBEEM, beside the good agreement between EEM and CM1 charges. EEM has overestimated the dipole moments. Such result may be due to the truncated expansion in atomic charges and lacking of explicit treatment of exchange interaction. A new approximation was proposed constraining the charge transfer between groups within the molecule. This approximation corrected the caveat of EEM in the prediction of dipole moments in vacuum and condensed phase (Shimizu et al., 2004). Based on these results, a new solvation model was developed founded in GBEEM and Floris-Tomasi model. The parameterization was done with a training set of 62 neutral molecules (13 functional groups) and experimental hydration free energies as target. This new solvation model has produced a mean absolute deviation, MAD, of 0.71 kcal/mol comparing to experimental data.
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Aguilar, Huacan Boris Abner. "Improving of the accuracy and efficiency of implicit solvent models in Biomolecular Modeling." Diss., Virginia Tech, 2014. http://hdl.handle.net/10919/64409.
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Biomolecular Modeling is playing an important role in many practical applications such
as biotechnology and structure-based drug design. One of the essential requirements of
Biomolecular modeling is an accurate description of the solvent (water). The challenge is
to make this description computationally facile that is reasonably fast, simple, robust and
easy to incorporate into existing software packages. The most rigorous procedure to model
the effect of aqueous solvent is to explicitly model every water molecule in the system. For
many practical applications, this approach is computationally too intense, as the number of
required water atoms is on average one order of magnitude larger than the number of atoms
of the molecule of interest.
Implicit solvent models, in which solvent molecules are represented by a continuum function,
have become a popular alternative to explicit solvent methods as they are computationally
more efficient. The Generalized Born (GB) implicit solvent has become quite popular due
to its relative simplicity and computational efficiency. However, recent studies showed serious
deficiencies of many GB variants when applied to Biomolecular Modeling such as an over-
stabilization of alpha helical secondary structures and salt bridges.
In this dissertation we present two new GB models aimed at computing solvation properties
with a reasonable compromise between accuracy and speed. The first GB model, called
NSR6, is based on a numerically surface integration over the standard molecular surface.
When applied to a set of small drug-like molecules, NSR6 produced an accuracy, with respect
to experiments, that is essentially at the same level as that of the expensive explicit solvent
treatment. Furthermore, we developed an analytic GB model, called AR6, based on an
approximation of the volume integral over the standard molecular volume. The accuracy of
the AR6 model is tested relative to the numerically exact NSR6. Overall AR6 produces a
good accuracy and is suitable for Molecular Dynamics simulations which is the main intended
application.<br>Ph. D.
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Carlsson, Jens. "Challenges in Computational Biochemistry: Solvation and Ligand Binding." Doctoral thesis, Uppsala University, Department of Cell and Molecular Biology, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8738.
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<p>Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding.</p><p>The thermodynamic integration technique is used to calculate p<i>K</i><sub>a</sub> values for three aspartic acid residues in two different proteins. MD simulations are carried out in explicit and Generalized-Born continuum solvent. The calculated p<i>K</i><sub>a</sub> values are in qualitative agreement with experiment in both cases. A combination of MD simulations and a continuum electrostatics method is applied to examine p<i>K</i><sub>a</sub> shifts in wild-type and mutant epoxide hydrolase. The calculated p<i>K</i><sub>a</sub> values support a model that can explain some of the pH dependent properties of this enzyme.</p><p> Development of the linear interaction energy (LIE) method for calculating solvation and binding free energies is presented. A new model for estimating the electrostatic term in the LIE method is derived and is shown to reproduce experimental free energies of hydration. An LIE method based on a continuum solvent representation is also developed and it is shown to reproduce binding free energies for inhibitors of a malaria enzyme. The possibility of using a combination of docking, MD and the LIE method to predict binding affinities for large datasets of ligands is also investigated. Good agreement with experiment is found for a set of non-nucleoside inhibitors of HIV-1 reverse transcriptase.</p><p>Approaches for decomposing solvation and binding free energies into enthalpic and entropic components are also examined. Methods for calculating the translational and rotational binding entropies for a ligand are presented. The possibility to calculate ion hydration free energies and entropies for alkali metal ions by using rigorous free energy techniques is also investigated and the results agree well with experimental data.</p>
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Bassi, German. "Secure Communication and Cooperation in Interference-Limited Wireless Networks." Thesis, CentraleSupélec, 2015. http://www.theses.fr/2015SUPL0018/document.
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Dans cette thèse, nous menons une étude dans le cadre de la théorie de l'information sur deux questions importantes de la communication sans fil : l'amélioration du débit de données dans les réseaux avec interférence grâce à la coopération entre utilisateurs et le renforcement de la sécurité des transmissions à l'aide d'un signal de rétroaction.Dans la première partie de la thèse, nous nous concentrons sur le modèle le plus simple qui intègre à la fois l'interférence et la coopération, le canal à relais et interférence ou IRC (Interference Relay Channel). Notre objectif est de caractériser dans un nombre fixe de bits la région de capacité du IRC gaussien. À cette fin, nous dérivons une nouvelle limite supérieure de la capacité et deux stratégies de transmission. La limite supérieure est notamment obtenue grâce à une extension non triviale que nous proposons, de la classe de canaux semi-déterministe et injective à l'origine dérivée par Telatar et Tse pour le canal à interférence.Dans la seconde partie, nous étudions le canal avec espion et rétroaction généralisée ou WCGF (Wiretap Channel with Generalized Feedback). Notre objectif est de développer une stratégie de transmission générale qui englobe les résultats existants pour les différents modèles de rétroaction trouvés dans la littérature. À cette fin, nous proposons deux stratégies de transmission différentes sur la capacité du WCGF sans mémoire. Nous dérivons d'abord une stratégie qui est basée sur le codage source-canal conjoint. Nous introduisons ensuite une seconde stratégie où le signal de rétroaction est utilisé pour générer une clé secrète qui permet de chiffrer le message partiellement ou totalement<br>In this thesis, we conduct an information-theoretic study on two important aspects of wireless communications: the improvement of data throughput in interference-limited networks by means of cooperation between users and the strengthening of the security of transmissions with the help of feedback.In the first part of the thesis, we focus on the simplest model that encompasses interference and cooperation, the Interference Relay Channel (IRC). Our goal is to characterize within a fixed number of bits the capacity region of the Gaussian IRC, independent of any channel conditions. To do so, we derive a novel outer bound and two inner bounds. Specifically, the outer bound is obtained thanks to a nontrivial extension we propose of the injective semideterministic class of channels, originally derived by Telatar and Tse for the Interference Channel (IC).In the second part of the thesis, we investigate the Wiretap Channel with Generalized Feedback (WCGF) and our goal is to provide a general transmission strategy that encompasses the existing results for different feedback models found in the literature. To this end, we propose two different inner bounds on the capacity of the memoryless WCGF. We first derive an inner bound that is based on the use of joint source-channel coding, which introduces time dependencies between the feedback outputs and the channel inputs through different time blocks. We then introduce a second inner bound where the feedback link is used to generate a key that encrypts the message partially or completely
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Lindström, Anton. "A multivariate approach to characterization of drug-like molecules, proteins and the interactions between them." Doctoral thesis, Umeå universitet, Kemi, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-1924.
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En sjukdom kan många gånger härledas till en kaskadereaktion mellan proteiner, co-faktorer och substrat. Denna kaskadreaktion blir många gånger målet för att behandla sjukdomen med läkemedel. För att designa nya läkemedelsmoleyler används vanligen datorbaserade verktyg. Denna design av läkemedelsmolekyler drar stor nytta av att målproteinet är känt och då framförallt dess tredimensionella (3D) struktur. Är 3D-strukturen känd kan man utföra så kallad struktur- och datorbaserad molekyldesign, 3D-geometrin (f.f.a. för inbindningsplatsen) blir en vägledning för designen av en ny molekyl. Många faktorer avgör interaktionen mellan en molekyl och bindningsplatsen, till exempel fysikalisk-kemiska egenskaper hos molekylen och bindningsplatsen, flexibiliteten i molekylen och målproteinet, och det omgivande lösningsmedlet. För att strukturbaserad molekyldesign ska fungera väl måste två viktiga steg utföras: i) 3D anpassning av molekyler till bindningsplatsen i ett målprotein (s.k. dockning) och ii) prediktion av molekylers affinitet för bindningsplatsen. Huvudsyftena med arbetet i denna avhandling var som följer: i) skapa modeler för att prediktera affiniteten mellan en molekyl och bindningsplatsen i ett målprotein; ii) förfina molekyl-protein-geometrin som skapas vid 3D-anpassning mellan en molekyl och bindningsplatsen i ett målprotein (s.k. dockning); iii) karaktärisera proteiner och framför allt deras sekundärstruktur; iv) bedöma effekten av olika matematiska beskrivningar av lösningsmedlet för förfining av 3D molekyl-protein-geometrin skapad vid dockning och prediktion av molekylers affinitet för proteiners bindningsfickor. Ett övergripande syfte var att använda kemometriska metoder för modellering och dataanalys på de ovan nämnda punkterna. För att sammanfatta så presenterar denna avhandling metoder och resultat som är användbara för strukturbaserad molekyldesign. De rapporterade resultaten visar att det är möjligt att skapa kemometriska modeler för prediktion av molekylers affinitet för bindningsplatsen i ett protein och att dessa presterade lika bra som andra vanliga metoder. Dessutom kunde kemometriska modeller skapas för att beskriva effekten av hur inställningarna för olika parametrar i dockningsprogram påverkade den 3D molekyl-protein-geometrin som dockingsprogram skapade. Vidare kunde kemometriska modeller andvändas för att öka förståelsen för deskriptorer som beskrev sekundärstrukturen i proteiner. Förfining av molekyl-protein-geometrin skapad genom dockning gav liknande och ickesignifikanta resultat oberoende av vilken matematisk modell för lösningsmedlet som användes, förutom för ett fåtal (sex av 30) fall. Däremot visade det sig att användandet av en förfinad geometri var värdefullt för prediktion av molekylers affinitet för bindningsplatsen i ett protein. Förbättringen av prediktion av affintitet var markant då en Poisson-Boltzmann beskrivning av lösningsmedlet användes; jämfört med prediktionerna gjorda med ett dockningsprogram förbättrades korrelationen mellan beräknad affintiet och uppmätt affinitet med 0,7 (R2).<br>A disease is often associated with a cascade reaction pathway involving proteins, co-factors and substrates. Hence to treat the disease, elements of this pathway are often targeted using a therapeutic agent, a drug. Designing new drug molecules for use as therapeutic agents involves the application of methods collectively known as computer-aided molecular design, CAMD. When the three dimensional (3D) geometry of a macromolecular target (usually a protein) is known, structure-based CAMD is undertaken and structural information of the target guides the design of new molecules and their interactions with the binding sites in targeted proteins. Many factors influence the interactions between the designed molecules and the binding sites of the target proteins, such as the physico-chemical properties of the molecule and the binding site, the flexibility of the protein and the ligand, and the surrounding solvent. In order for structure-based CAMD to be successful, two important aspects must be considered that take the abovementioned factors into account. These are; i) 3D fitting of molecules to the binding site of the target protein (like fitting pieces of a jigsaw puzzle), and ii) predicting the affinity of molecules to the protein binding site. The main objectives of the work underlying this thesis were: to create models for predicting the affinity between a molecule and a protein binding site; to refine the geometry of the molecule-protein complex derived by or in 3D fitting (also known as docking); to characterize the proteins and their secondary structure; and to evaluate the effects of different generalized-Born (GB) and Poisson-Boltzmann (PB) implicit solvent models on the refinement of the molecule-protein complex geometry created in the docking and the prediction of the molecule-to-protein binding site affinity. A further objective was to apply chemometric methodologies for modeling and data analysis to all of the above. To summarize, this thesis presents methodologies and results applicable to structure-based CAMD. Results show that predictive chemometric models for molecule-to-protein binding site affinity could be created that yield comparable results to similar, commonly used methods. In addition, chemometric models could be created to model the effects of software settings on the molecule-protein complex geometry using software for molecule-to-binding site docking. Furthermore, the use of chemometric models provided a more profound understanding of protein secondary structure descriptors. Refining the geometry of molecule-protein complexes created through molecule-to-binding site docking gave similar results for all investigated implicit solvent models, but the geometry was significantly improved in only a few examined cases (six of 30). However, using the geometry-refined molecule-protein complexes was highly valuable for the prediction of molecule-to-binding site affinity. Indeed, using the PB solvent model it yielded improvements of 0.7 in correlation coefficients (R2) for binding affinity parameters of a set of Factor Xa protein drug molecules, relative to those obtained using the fitting software.
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Sautié, Castellanos Miguel. "Assessing the robustness of genetic codes and genomes." Thesis, 2020. http://hdl.handle.net/1866/24333.
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Deux approches principales existent pour évaluer la robustesse des codes génétiques et des séquences de codage. L'approche statistique est basée sur des estimations empiriques de probabilité calculées à partir d'échantillons aléatoires de permutations représentant les affectations d'acides aminés aux codons, alors que l'approche basée sur l'optimisation repose sur le pourcentage d’optimisation, généralement calculé en utilisant des métaheuristiques. Nous proposons une méthode basée sur les deux premiers moments de la distribution des valeurs de robustesse pour tous les codes génétiques possibles. En se basant sur une instance polynomiale du Problème d'Affectation Quadratique, nous proposons un algorithme vorace exact pour trouver la valeur minimale de la robustesse génomique. Pour réduire le nombre d'opérations de calcul des scores et de la borne supérieure de Cantelli, nous avons développé des méthodes basées sur la structure de voisinage du code génétique et sur la comparaison par paires des codes génétiques, entre autres. Pour calculer la robustesse des codes génétiques naturels et des génomes procaryotes, nous avons choisi 23 codes génétiques naturels, 235 propriétés d'acides aminés, ainsi que 324 procaryotes thermophiles et 418 procaryotes non thermophiles. Parmi nos résultats, nous avons constaté que bien que le code génétique standard soit plus robuste que la plupart des codes génétiques, certains codes génétiques mitochondriaux et nucléaires sont plus robustes que le code standard aux troisièmes et premières positions des codons, respectivement. Nous avons observé que l'utilisation des codons synonymes tend à être fortement optimisée pour amortir l'impact des changements d'une seule base, principalement chez les procaryotes thermophiles.<br>There are two main approaches to assess the robustness of genetic codes and coding sequences. The statistical approach is based on empirical estimates of probabilities computed from random samples of permutations representing assignments of amino acids to codons, whereas, the optimization-based approach relies on the optimization percentage frequently computed by using metaheuristics. We propose a method based on the first two moments of the distribution of robustness values for all possible genetic codes. Based on a polynomially solvable instance of the Quadratic Assignment Problem, we propose also an exact greedy algorithm to find the minimum value of the genome robustness. To reduce the number of operations for computing the scores and Cantelli’s upper bound, we developed methods based on the genetic code neighborhood structure and pairwise comparisons between genetic codes, among others. For assessing the robustness of natural genetic codes and genomes, we have chosen 23 natural genetic codes, 235 amino acid properties, as well as 324 thermophilic and 418 non-thermophilic prokaryotes. Among our results, we found that although the standard genetic code is more robust than most genetic codes, some mitochondrial and nuclear genetic codes are more robust than the standard code at the third and first codon positions, respectively. We also observed that the synonymous codon usage tends to be highly optimized to buffer the impact of single-base changes, mainly, in thermophilic prokaryotes.
Books on the topic "Born generalizado"
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editor, Donagi Ron, Katz Sheldon 1956 editor, Klemm Albrecht 1960 editor, and Morrison, David R., 1955- editor, eds. String-Math 2012: July 16-21, 2012, Universität Bonn, Bonn, Germany. American Mathematical Society, 2015.
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McPherson, Gary, and Susan Hallam. Musical potential. Edited by Susan Hallam, Ian Cross, and Michael Thaut. Oxford University Press, 2012. http://dx.doi.org/10.1093/oxfordhb/9780199298457.013.0024.
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An ongoing controversy persists regarding the extent of individual variability in musical potential and the extent to which observable differences in acquiring musical skills result from social contexts that facilitate learning, genetic factors, or interactions between the two. This article outlines key elements of these debates and considers how ‘musical potential’ has been assessed. It argues that what children are born withenablesrather thanconstrainswhat they will eventually be able to achieve. While a range of generalized abilities may come into play when learning music, a host of environmental and personal catalysts work in combination with teaching and learning processes to develop particular types of talent. These talents form the basis of the many professional, amateur, and informal forms of meaningful engagement that individuals can have with music.
Book chapters on the topic "Born generalizado"
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Fogolari, Federico, Alessandra Corazza, and Gennaro Esposito. "The Accuracy of Generalized Born Forces." In Computational Electrostatics for Biological Applications. Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-12211-3_7.
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Felts, Anthony K., Anders Wallqvist, Emilio Gallicchio, Donna Bassolino, Stanley R. Krystek, and Ronald M. Levy. "Fold Recognition using the OPLS All-Atom Potential and the Surface Generalized Born Solvent Model." In Lecture Notes in Computational Science and Engineering. Springer Berlin Heidelberg, 2002. http://dx.doi.org/10.1007/978-3-642-56080-4_18.
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Wallqvist, Anders, Emilio Gallicchio, Anthony K. Felts, and Ronald M. Levy. "Detecting Native Protein Folds among Large Decoy Sets with the OPLS All-Atom Potential and the Surface Generalized Born Solvent Model." In Computational Methods for Protein Folding. John Wiley & Sons, Inc., 2002. http://dx.doi.org/10.1002/0471224421.ch8.
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Warrell, Mary J., and David A. Warrell. "Colorado tick fever and other arthropod-borne reoviruses." In Oxford Textbook of Medicine, edited by Christopher P. Conlon. Oxford University Press, 2020. http://dx.doi.org/10.1093/med/9780198746690.003.0086.
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Human pathogens are found in six genera of Reoviridae: Reovirus, Rotavirus, Orthoreovirus, and three arthropod-borne genera: Coltivirus (Colorado tick fever, Salmon River virus, and Eyach viruses); Orbivirus (Kemerovo, Changuinola, Orungo, and Lebombo); and Seadornavirus (Banna virus). Colorado tick fever is common in parts of north-western North America; acquired from tick (ixodid) bites, most often by hikers and campers, presenting 3–6 days later with sudden fever, rigors, generalized aches, myalgia, headache and backache, rashes (12%), and gastrointestinal symptoms (20%). Diagnosis is confirmed by detection of viral antigen in erythrocytes or serum, or by serodiagnosis. Management is symptomatic. Illness usually resolves in 10–14 days, but convalescence may be prolonged. Prevention is by avoiding, repelling, and rapidly removing ticks; no vaccines are available.
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Warrell, M. J., and David A. Warrell. "Colorado tick fever and other arthropod-borne reoviruses." In Oxford Textbook of Medicine. Oxford University Press, 2010. http://dx.doi.org/10.1093/med/9780199204854.003.070511_update_001.
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Human pathogens are found in six genera of Reoviridae: Reovirus, Rotavirus, Orthoreovirus, and three arthropod-borne genera—Coltivirus (Colorado tick fever, Salmon River virus, and Eyach viruses), Orbivirus (Kemerovo, Changuinola, Orungo, and Lebombo) and Seadornavirus (Banna virus). Colorado tick fever—common in parts of north-western North America; acquired from tick (ixodid) bites, most often by hikers and campers, presenting 3 to 6 days later with sudden fever, rigors, generalized aches, myalgia, headache and backache, rashes (12%) and gastrointestinal symptoms (20%). Diagnosis confirmed by detection of viral antigen in erythrocytes or serum, or by serodiagnosis. Management is symptomatic. Illness usually resolves in 10 to 14 days, but convalescence may be prolonged. Prevention is by avoiding, repelling, and rapidly removing ticks; no vaccines are available....
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Tapia, O., and Gustavo A. Arteca. "Generalized Electronic Diabatic Ansatz:A Post-Born–Oppenheimer Approach to Electronuclear Dynamics in External Fields." In Advances in Quantum Chemistry. Elsevier, 2004. http://dx.doi.org/10.1016/s0065-3276(04)47016-6.
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Kanoun, Mohammed Benali, and Souraya Goumri-Said. "Theoretical Assessment of the Mechanical, Electronic, and Vibrational Properties of the Paramagnetic Insulating Cerium Dioxide and Investigation of Intrinsic Defects." In Handbook of Research on Nanoscience, Nanotechnology, and Advanced Materials. IGI Global, 2014. http://dx.doi.org/10.4018/978-1-4666-5824-0.ch017.
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First-principles calculations are performed by taking into account the strong correlation effects on ceria. To obtain an accurate description including f electrons, the authors optimized the Coulomb U parameter for use in Local-Density Approximation (LDA) and Generalized Gradient Approximation (GGA) calculation. A good agreement with experimental data is obtained within the GGA+U (Wu-Cohen scheme). Elastic stiffness constants are found in correct agreement with the available experimental results. Born effective charge, dielectric permittivity, and the phonon-dispersion curves are computed using density functional perturbation theory. The origin of magnetism in undoped ceria with intrinsic defects is investigated. The authors show that both of Ce and O vacancies induce local moments and ferromagnetism without doping ceria by magnetic impurities in this chapter.
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Boothroyd, Andrew T. "Kinematical Theory of Scattering." In Principles of Neutron Scattering from Condensed Matter. Oxford University Press, 2020. http://dx.doi.org/10.1093/oso/9780198862314.003.0003.
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The chapter introduces the kinematical theory of scattering, which is based on the Born approximation. It is shown that the neutron scattering response function can be written as the time Fourier transform of a correlation function, or intermediate scattering function. Several general properties of the correlation function are derived, and the response function is shown to satisfy the Principle of Detailed Balance. The distinction between static and dynamic correlations is explained, and their correspondence to elastic and inelastic scattering is established. The meaning of the static approximation is explained, and the link between the dynamical part of the response function and the absorptive part of the generalized susceptibility via the Fluctuation-Dissipation theorem is established. Some general sum rules are proved, and a spectral-weight function is defined. Response functions are obtained for some simple models.
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Stevens, Dennis L., Michael J. Aldape, and Amy E. Bryant. "Botulism, gas gangrene, and clostridial gastrointestinal infections." In Oxford Textbook of Medicine, edited by Christopher P. Conlon. Oxford University Press, 2020. http://dx.doi.org/10.1093/med/9780198746690.003.0129.
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Human botulism is caused by seven serological types of C. botulinum, which is ubiquitously distributed in the soil. Poisoning usually results from ingestion of preformed toxin in food, although this is rapidly inactivated at ordinary cooking temperatures, but it can also result from contaminated wounds. C. botulinum toxin binds irreversibly to the neuromuscular junction and is the most lethal known microbial toxin. There are five forms of clinical botulism: food-borne botulism; wound botulism; infant botulism; adult enteric infectious botulism; and inhalational botulism. Clinical presentation is with symptoms suggesting gastrointestinal tract illness, followed by neurological symptoms including diplopia, blurred vision, dizziness, and difficulty with speech or swallowing, leading on to generalized flaccid paralysis. The diagnosis can be confirmed by testing for botulinum toxin in the patient’s serum, urine, or stomach contents, or in the suspect food. Treatment requires supportive care, which may continue for many months.
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Bello, Martiniano, and Miguel Ángel Vargas Mejía. "Structural Insight of the Anticancer Properties of Doxazosin on Overexpressing EGFR/HER2 Cell Lines." In Breast Cancer [Working Title]. IntechOpen, 2021. http://dx.doi.org/10.5772/intechopen.96628.
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The selective α1-adrenergic receptor antagonist doxazosin is used for the treatment of hypertension. More recently, an experimental report demonstrated that this compound exhibits antiproliferative activity in breast cancer cell lines with similar inhibitory activity to gefitinib, a selective inhibitor of EGFR in the active state (EGFRAC). This experimental study provided evidence that doxazosin can be employed as an anticancer compound, however, the structural basis for its inhibitory properties is poorly understood at the atomic level. To gain insight about this molecule, molecular dynamics (MD) simulation with the molecular mechanics generalized Born surface area (MMGBSA) approach was employed to explore the structural and energetic features that guide the inhibitory properties of doxazosin and gefitinib in overexpressing EGFR/HER2 cell lines. Our result suggest that doxazosin exerts its inhibitory properties in breast cancer cell lines by targeting EGFR/HER2 but mainly HER2 in the inactive state (HER2IN), whereas gefitinib by targeting mainly EGFRAC, in line with previous literature. Decomposition of the binding affinity into individual contributions of HER2IN-doxazosin and EGFRAC-gefitinib systems detected hot spot residues but also showed polar interactions of Met801/Met793 with the quinazoline ring of both compounds. Principal component (PC) analysis revealed that the molecular recognition of the HER2IN-doxazosin system was linked to conformational changes but EGFRAC-gefitinib was not.
Conference papers on the topic "Born generalizado"
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LYAKHOVSKY, V. D. "TWIST DEFORMATIONS FOR GENERALIZED HEISENBERG ALGEBRAS." In Proceedings of XIV Max Born Symposium. WORLD SCIENTIFIC, 2000. http://dx.doi.org/10.1142/9789812793263_0007.
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H. Chapman, C., and R. T. Coates. "Generalized born scattering and Quasi-Shear ray coupling in anisotropic media." In 53rd EAEG Meeting. European Association of Geoscientists & Engineers, 1991. http://dx.doi.org/10.3997/2214-4609.201410879.
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Gao, Guozhong, and Carlos Torres‐Verdín. "A high‐order generalized extended Born approximation to simulate electromagnetic geophysical measurements in inhomogeneous and anisotropic media." In SEG Technical Program Expanded Abstracts 2004. Society of Exploration Geophysicists, 2004. http://dx.doi.org/10.1190/1.1845274.
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Qianghui Zhang, Junjie Wu, Zhongyu Li, et al. "Generalized Omega-K algorithm for missile-borne SAR imaging with constant acceleration." In IGARSS 2014 - 2014 IEEE International Geoscience and Remote Sensing Symposium. IEEE, 2014. http://dx.doi.org/10.1109/igarss.2014.6946429.
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Herguth, Axel, and Brett Hallam. "A generalized model for boron-oxygen related light-induced degradation in crystalline silicon." In SILICONPV 2018, THE 8TH INTERNATIONAL CONFERENCE ON CRYSTALLINE SILICON PHOTOVOLTAICS. Author(s), 2018. http://dx.doi.org/10.1063/1.5049325.
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Burnett, Kevin J., Ashwani K. Gupta, and Jim S. Cowart. "A Fundamental Thermodynamic Study on the Effects of Engine Scale in Diesel Engines." In ASME 2019 Internal Combustion Engine Division Fall Technical Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/icef2019-7121.
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Abstract The Navy has a wide range of diesel engines with bore sizes varying by a factor of four. In general, diesel engines can have bore scaling over a full order of magnitude. As an engine cylinder gets larger its surface area to volume ratio reduces significantly, which in turn affects in-cylinder heat transfer. In this study, a fundamental generalized thermodynamic model of diesel engines was developed. The various key model effects were systematically analyzed along with engine bore size. Further, cylinder wall temperature was varied across a range of cold start to stabilized operating temperatures. The results of this study show that smaller bore diesel engines are always more sensitive to cold start conditions. The effect is reduced with increasing wall temperature yet smaller diesel engines have cooler end-of-compression temperatures as comparted to larger engines. The effects of engine speed, in which mean piston speed is held constant, tend to modestly reduce the differences between various size diesel engines due to non-linear heat transfer effects. When variable specific heat effects are correctly considered, end-of-compression air charge temperatures are only modestly different as a function of engine bore size. The most significant difference is the overall reduced heat transfer in larger engines due to the surface area to volume effect. A difference of a factor of three for in cylinder heat transfer relative to in-cylinder inducted air mass is predicted being much greater for the smaller engines. Higher exhaust temperatures are also characteristic of the larger bore engines. This allows more combustion work to be delivered to the piston with a correspondingly higher thermal efficiency for larger diesel engines. Future work will evaluate fuel effects on varying bore size.
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Huang, H., P. Huang, S. Li, Z. Yin, X. Liu, and W. Gong. "An approach for high squint space-borne SAR imaging based on generalized scale transform." In IET International Radar Conference (IET IRC 2020). Institution of Engineering and Technology, 2021. http://dx.doi.org/10.1049/icp.2021.0619.
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Waghmode, Laxman Yadu, and Anil Dattatraya Sahasrabudhe. "An Application of a Generalized Life Cycle Cost Model to BOXN Wagons of Indian Railways." In ASME 2010 10th Biennial Conference on Engineering Systems Design and Analysis. ASMEDC, 2010. http://dx.doi.org/10.1115/esda2010-24099.
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The objective of this paper is to apply a methodology developed for effective implementation of life cycle costing (LCC) in design and procurement of repairable products/systems to railway wagons. From its origin in defense equipment in US in 1960s, the application of life cycle cost concept has now been extended to other areas of private and public sectors too. This is because the customers are now considering not only the initial product costs but also the cost implications associated with the entire life span of a product. This emerging trend in global markets is gradually forcing the product manufacturers to estimate and optimize the product LCC with reference to performance, safety, reliability (R), and maintainability (M). The life cycle cost of a repairable system is closely coupled to its reliability and maintainability and therefore a careful consideration to the R & M parameters in the product design stage is quite essential from the LCC viewpoint. Taking into consideration these aspects a generalized modeling methodology has been proposed to estimate the life cycle cost of repairable products based on R & M principles. Life cycle costing in railway industry has traditionally been focused on the prediction of investment of railway vehicle. But, today’s mass transit market has rapidly been changed and the suppliers are now forced to treat the LCC of entire railway system. Indian railways are the principle mode of transport for raw materials for steel plants, finished steel from steel plants, coal, oil, iron, cement, petroleum products, fertilizers and food grains in India. To serve this purpose BOXN wagons are used by Indian railways. The BOXN wagons typically have a life span of 35 years and being a repairable system experience multiple failures over their life span. In this paper, a generalized model for LCC of repairable products has been proposed and is applied to BOXN wagon of Indian railways and the results obtained are presented. The methodology presented herein is expected to provide some useful guidelines to the railway industry to predict and analyze the life cycle cost of railway vehicles.
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Dominique, S., and J. Y. Tre´panier. "Optimization of a Gas Turbine Engine Rotor Disc Using Case-Based Reasoning and the GATE Genetic Algorithm." In ASME Turbo Expo 2010: Power for Land, Sea, and Air. ASMEDC, 2010. http://dx.doi.org/10.1115/gt2010-23011.
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The implementation of an automated decision support system in the field of structural design and optimization can give a significant advantage to any industry working on mechanical design. Such a system can reduce the project cycle time or allow more time to produce a better design by providing solution ideas to a designer or by upgrading existing design solutions while the designer is not at work. This paper presents an approach to automating the process of designing a gas turbine engine rotor disc using case-based reasoning (CBR), combined with a new genetic algorithm, the Genetic Algorithm with Territorial core Evolution (GATE). GATE was specifically created to solve problems in the mechanical structural design field, and is essentially a real number genetic algorithm that prevents new individuals from being born too close to previously evaluated solutions. The restricted area becomes smaller or larger during optimization to allow global or local searches when necessary. The CBR process uses a databank filled with every known solution to similar design problems. The closest solutions to the current problem in terms of specifications are selected, along with an estimated solution from an artificial neural network. Each solution selected by the CBR is then used to initialize the population of a GATE island. Our results show that CBR may significantly upgrade the performance of an optimization algorithm when sufficient preliminary information is known about the design problem. It provides an average solution 5.0% lighter than the average solution found using random initialization. The results are compared to other results obtained for the same problems by four optimization algorithms from the I-SIGHT 3.5 software: the sequential quadratic programming algorithm (SQP), the insular genetic algorithm (GA), the Hookes & Jeeves generalized pattern search (HJ) and POINTER. Results show that GATE can be a very good candidate for automating and accelerating the structural design of a gas turbine engine rotor disc, providing an average disc 18.9% lighter than SQP, 11.2% lighter than HJ, 23.9% lighter than GA and 4.3% lighter than POINTER, even when starting with the same solution set.