Academic literature on the topic 'Conformational transformations'

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Journal articles on the topic "Conformational transformations"

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Kuznetsova, M. V., and V. V. Kuznetsov. "Conformational transformations of 1,3-diselenane." Russian Journal of General Chemistry 83, no. 5 (2013): 1002–3. http://dx.doi.org/10.1134/s1070363213050228.

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Kuznetsov, V. V. "Conformational transformations of perhydro-1,3,2-dioxazine." Russian Journal of General Chemistry 82, no. 4 (2012): 783–84. http://dx.doi.org/10.1134/s1070363212040329.

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Yusupova, Alfia R., Rustam L. Safiullin, and Sergey L. Khursan. "Conformational Transformations in Aromatic Nitroso Oxides." Journal of Physical Chemistry A 120, no. 28 (2016): 5693–705. http://dx.doi.org/10.1021/acs.jpca.6b04282.

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Zhan, Jianhua, Guangqing Zhang, Xin Chai, et al. "NMR Reveals the Conformational Changes of Cytochrome C upon Interaction with Cardiolipin." Life 11, no. 10 (2021): 1031. http://dx.doi.org/10.3390/life11101031.

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Conformational change of cytochrome c (cyt c) caused by interaction with cardiolipin (CL) is an important step during apoptosis, but the underlying mechanism is controversial. To comprehensively clarify the structural transformations of cyt c upon interaction with CL and avoid the unpredictable alias that might come from protein labeling or mutations, the conformation of purified yeast iso–1 cyt c with natural isotopic abundance in different contents of CL was measured by using NMR spectroscopy, in which the trimethylated group of the protein was used as a natural probe. The data demonstrate t
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Gossard, David C., and Jonathan King. "Lattice Transformations and Subunit Conformational Changes in Phage Capsid Maturation." Journal of Theoretical Medicine 6, no. 2 (2005): 99–105. http://dx.doi.org/10.1080/10273660500149646.

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A general feature of the pathways for the assembly of double-stranded DNA phages and viruses is the assembly of coat and scaffolding subunits into a precursor shell or procapsid, followed by packaging of the genomic DNA into the shell. Coupled to this DNA packaging process is the loss of the scaffolding subunits and expansion and re-organization of the procapsid lattice to the lattice of the mature virus. Such lattice transitions have also been observed with adenoviruses and herpesviruses. In re-organizing into the mature capsid lattice, each subunit of the precursor lattice must change its co
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Kuznetsov, V. V. "Conformational transformations of 4,4- and 6,6-oxathianes." Russian Journal of General Chemistry 81, no. 1 (2011): 149–50. http://dx.doi.org/10.1134/s1070363211010269.

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Perepelytsya, Sergiy, Tudor Vasiliu, Aatto Laaksonen, Leon De Villiers Engelbrecht, and Francesca Mocci. "Unusual bending patterns of spermidine3+ bound to DNA double helix." Low Temperature Physics 50, no. 3 (2024): 204–14. http://dx.doi.org/10.1063/10.0024969.

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Natural polyamines play a fundamental role in the cell cycle. Despite being recognized as the most abundant organic counterions of DNA in the cell nucleus, their interactions with DNA have not been fully characterized. In a recent work [S. Perepelytsya, T. Vasiliu, A. Laaksonen, L. Engelbrecht, G. Brancato, and F. Mocci, J. Molec. Liq.389, 122828 (2023)], we have shown how the interactions between spermidine3+ and the DNA double helix induce significant conformational variations in the polyamine molecule. Specifically, we found that DNA induces conformations that are not observed in solution.
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Park, Sung Man, Yu Ran Lee, and Chan Ho Kwon. "Conformational Structures of Neutral and Cationic Pivaldehyde Revealed by IR-Resonant VUV-MATI Mass Spectroscopy." International Journal of Molecular Sciences 23, no. 23 (2022): 14777. http://dx.doi.org/10.3390/ijms232314777.

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Pivaldehyde, which is an unwanted by-product released with engine exhaust, has received considerable research attention because of its hydrocarbon oxidations at atmospheric temperature. To gain insight into the conformer-specific reaction dynamics, we investigated the conformational structures of the pivaldehyde molecule in neutral (S0) and cationic (D0) states using the recently invented IR-resonant VUV-MATI mass spectroscopy. Additionally, we constructed the two-dimensional potential energy surfaces (2D PESs) associated with the conformational transformations in the S0 and D0 states to deduc
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Garabet, Arees, Iztok Prislan, Nataša Poklar Ulrih, James W. Wells, and Tigran V. Chalikian. "Conformational Propensities of a DNA Hairpin with a Stem Sequence from the c-MYC Promoter." Biomolecules 15, no. 4 (2025): 483. https://doi.org/10.3390/biom15040483.

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G-quadruplexes and i-motifs are four-stranded non-canonical structures of DNA. They exist in the cell, where they are implicated in the conformational regulation of cellular events, such as transcription, translation, DNA replication, telomere homeostasis, and genomic instability. Formation of the G-quadruplex and i-motif conformations in the genome is controlled by their competition with the pre-existing duplex. The fate of that competition depends upon the relative stabilities of the competing conformations, leading ultimately to a distribution of double helical, tetrahelical, and coiled con
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Chen, Jianzhong, Jian Wang, Wanchun Yang, Lu Zhao, Juan Zhao, and Guodong Hu. "Molecular Mechanism of Phosphorylation-Mediated Impacts on the Conformation Dynamics of GTP-Bound KRAS Probed by GaMD Trajectory-Based Deep Learning." Molecules 29, no. 10 (2024): 2317. http://dx.doi.org/10.3390/molecules29102317.

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The phosphorylation of different sites produces a significant effect on the conformational dynamics of KRAS. Gaussian accelerated molecular dynamics (GaMD) simulations were combined with deep learning (DL) to explore the molecular mechanism of the phosphorylation-mediated effect on conformational dynamics of the GTP-bound KRAS. The DL finds that the switch domains are involved in obvious differences in conformation contacts and suggests that the switch domains play a key role in the function of KRAS. The analyses of free energy landscapes (FELs) reveal that the phosphorylation of pY32, pY64, a
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Dissertations / Theses on the topic "Conformational transformations"

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Коваленко, Ольга Андріївна, Ольга Андреевна Коваленко та Olha Andriivna Kovalenko. "Фізичні процеси в спіропіранах як елементах молетроніки". Thesis, Сумський державний університет, 2021. https://essuir.sumdu.edu.ua/handle/123456789/82663.

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Дисертаційна робота присвячена встановленню закономірностей, які обумовлюють зв'язок між молекулярною енергетичною структурою та формуванням механізмів перетворень у системі Сп-Мц, вивченню можливостей та умов побудови молекулярних пристроїв на їх основі. Показано, що зміна конфігурацій при перетворенні в системі спіропіран-мероціанін може бути використана для реалізації комірки пам'яті із спектроскопічною диференціацією. Запропоновано використання Cl як замісника в індоліновому фрагменті, що призводить до зменшення енергетичного бар'єру при прямому спіропіран → мероціанін перетворенні на 36%,
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Gorce, Jean-Philippe. "Crystallisation and chain conformation of long chain n-alkanes." Thesis, Sheffield Hallam University, 2000. http://shura.shu.ac.uk/19705/.

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Hydrocarbon chains are a basic component in a number of systems as diverse as biological membranes, phospholipids and polymers. A better understanding of the physical properties of n-alkane chains should provide a better understanding of these more complex systems. With this aim, vibrational spectroscopy has been extensively used. This technique, sensitive to molecular details, is the only one able to both identify and quantify conformational disorder present in paraffinic systems. To achieve this, methyl deformations have been widely used as "internal standards" for the normalisation of peak
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Cardoen, Jean-Christophe. "Some heuristic implications of absolute textualism in the exegesis of the scriptural concepts of 'transformation', and 'conformation', in early eighteenth century writings relating to the paradox of the regenerated and spiritualized body." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.325040.

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林俊羽. "Conformation transformations of proteins in multiple scales - from conformation non-uniqueness to aggregation." Thesis, 2014. http://ndltd.ncl.edu.tw/handle/rbnkv8.

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博士<br>國立清華大學<br>物理系<br>102<br>Although it has been generally believed as the Anfinsen's dogma that protein structures are uniquely determined by their amino acid sequences, complex conformational transformations of native structures that occur in multiscales makes Anfinsen's dogma elusive. To illuminate mechanism behind conformational transformations in multiscales, we start by revisiting the uniqueness problem of protein native structures by investigating the peptide 2DX4, comprising 18 amino acids: INYWLAHAKAGYIVHWTA. Based on an ab initio coarse-grained model that are comprehensively calibr
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Shih, Ke-Ying, and 施克穎. "Specific interaction in fluorescent polypeptide: aggregation-enhanced emission and conformational transformation." Thesis, 2014. http://ndltd.ncl.edu.tw/handle/d9h5w8.

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碩士<br>國立中山大學<br>材料與光電科學學系研究所<br>102<br>Abstract-1 New pyridine-terminated fluorophore of 4-[2-(9-Anthryl)vinyl]pyridine (AnPy) with intramolecular charge transfer (ICT) and aggregation-induced emission (AIE) properties was synthesized and was blended with different amounts of polytyrosine (PTyr) through preferable hydrogen-bond (H-bond) interactions. In blends of low AnPy content, the rigid PTyr peptide chains serve as templates to H-bond to AnPys, imposing rotational restriction and reinforcing the AIE-related emission intensity of AnPys, resulting in amorphous blends with the observed glass
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Books on the topic "Conformational transformations"

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Wu, Zhijun. The effective energy transformation scheme as a general continuation approach to global optimization with application to molecular conformation. Cornell Theory Center, Cornell University, 1993.

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WUNDERLICH, B. Conformational Motion & Disorder In Low & High Molecular Mass Crystals (Advances in Polymer Science). Springer, 1988.

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Tossounian, Cecilia. La Joven Moderna in Interwar Argentina. University Press of Florida, 2020. http://dx.doi.org/10.5744/florida/9781683401162.001.0001.

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This book reconstructs different images of modern femininities and their evolution during the 1920s and 1930s, showing that women were at the center of a public debate about modernity and its consequences on the emergence of an Argentine national identity. With a focus on competing media representations of womanhood, mainly proposed by male contemporaries, but also with attention to young women’s descriptions of their experiences, the book explores different images of modern femininities and what they reveal about how Argentines imagined themselves and their country during decades of cultural
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Book chapters on the topic "Conformational transformations"

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Lang, E., G. I. Szendrei, and L. Otvos. "Conformational transitions around phosphorylation sites of human and bovine tau protein often indicate transformations characteristic of tau found in the paired helical filaments of Alzheimer’s disease." In Peptides. Springer Netherlands, 1994. http://dx.doi.org/10.1007/978-94-011-0683-2_266.

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Bara Bancel, Silvia. "« Transformés de clarté en clarté en la même image » (2 Co 3, 18). Conformation et transformation d’après Henri Suso." In JAOC Judaïsme antique et origines du christianisme. Brepols Publishers, 2024. https://doi.org/10.1484/m.jaoc-eb.5.136223.

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Karolak-Wojciechowska, Janina. "Utilization of crystallographic results for selecting and designing pharmacologically active compounds." In Correlations, transformations, and interactions in organic crystal chemistry. Oxford University PressOxford, 1994. http://dx.doi.org/10.1093/oso/9780198558262.003.0010.

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Abstract In the model presented for the utilization of crystallographic results, the atomic coordinates in the crystal structure are used as a starting point for searching for the conformation of a molecule that would correspond to the energy minimum (or several minima). It is assumed that this would be a conformation close to that existing in solution. To attain this aim it is necessary to carry out. Crystallographic analysis of the chosen compounds. Conformational analysis of the molecules by means of the molecular mechanics method. Molecular-orbital optimization of the geometry of all molec
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Jaskólski, M., and M. Wiewiórowski. "Isomorphism, solid state transformations, and disorder in the crystal structures of cytidinium and 2’-deoxycytidinium salts." In Correlations, transformations, and interactions in organic crystal chemistry. Oxford University PressOxford, 1994. http://dx.doi.org/10.1093/oso/9780198558262.003.0013.

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Abstract The organic building blocks of nucleic acids -nucleosides -have been, and still are, rewarding objects of studies in the domain of organic crystal chemistry. Those studies have been the source of geometrical data which, in the past, were essential for compiling standard-group dictionaries used in structural studies of oligomers and polymers (Sussman, 1985; Westhof, Dumas &amp; Moras, 1985) and, more recently, entered (in the form of parameters) the molecular dynamics protocols of refinement of macromolecular structures (Briinger, Kuriyan &amp; Karplus, 1987). The past success of cryst
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Berreur, J., B. S. L. Collins, and J. Clayden. "12 Dynamic Kinetic Resolution and Dynamic Kinetic Asymmetric Transformation of Atropisomers." In Dynamic Kinetic Resolution (DKR) and Dynamic Kinetic Asymmetric Transformations (DYKAT). Georg Thieme Verlag KG, 2023. http://dx.doi.org/10.1055/sos-sd-237-00162.

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AbstractStereoenriched atropisomeric compounds find important applications in various areas of chemistry and their synthesis is therefore a critical research target. This chapter presents a selection of the best methods available to date for the asymmetric preparation of atropisomeric compounds using dynamic stereoselective techniques. For the more common (hetero)biaryls, the selected reactions are classified according to the conformational stability of the substrates, i.e. whether they are freely rotating or are configurationally stable and require a chemically induced, temporary lowering of
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Bürgi, H. B. "Molecular motion in crystals." In Correlations, transformations, and interactions in organic crystal chemistry. Oxford University PressOxford, 1994. http://dx.doi.org/10.1093/oso/9780198558262.003.0004.

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Abstract The notion that molecules in crystals are static and undeformable objects, has been abandoned by crystallographers for some time now. Molecular flexibility in the solid state can be probed in several ways. One of them is to analyse in detail the structure of a molecule or molecular fragment in a variety of environment. This approach makes use of static structural data – distances, bond angles and conformational descriptors in particular; the structural parameters which are most susceptible to deformation, and also the type and extent of deformation, may be identified with the help of
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Szczepańska, B., and U. Rychlewska. "Conformational preferences of (R,R)tartaric acid esters and amides: hydrogen bonding and packing in crystals." In Correlations, transformations, and interactions in organic crystal chemistry. Oxford University PressOxford, 1994. http://dx.doi.org/10.1093/oso/9780198558262.003.0015.

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Abstract Tartaric acid and its derivatives have long played an important role in the development of organic and pharmaceutical chemistry. Optically active tartaric acid and its 0,0-dibenzoyl derivatives have been used successfully as resolving agents for racemic mixtures and recently (R,R)-tartaric acid diamides have been applied for this purpose (Dobashi, Hara &amp; Iitaka, 1988). This group of compounds has been extensively studied by X-ray crystallography (more than 200 entries are available in the Cambridge Crystallographic Data File). However great in number, crystal structure analyses ar
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Crousse, B. "1.11 Synthesis of N-Trifluoromethyl (N-CF3) Compounds." In Modern Strategies in Organofluorine Chemistry 1. Georg Thieme Verlag KG, 2024. https://doi.org/10.1055/sos-sd-243-00091.

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AbstractThe presence of fluorine in compounds is attracting more and more attention due to the remark-able properties conferred by this element. Due to its specific characteristics, the fluorine atom strongly influences the physicochemical properties of molecules, such as the modulation of the acidity or basicity of neighbouring functions (pKa), lipophilicity, conformational constraints, and metabolic stability. The N-trifluoromethyl motif has recently been a feature in a wide range of reported compounds, and significant advances in methods for constructing and installing this group have appea
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Busch, Daryle H., and Neil A. Stephenson. "The transition metal cyclidenes: a broad family of complexes well suited to inclusion chemistry." In Inclusion Compounds. Oxford University PressOxford, 1991. http://dx.doi.org/10.1093/oso/9780198552932.003.0008.

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Abstract Living systems perform a variety of chemical transformations which are without precedent in the laboratory under similar conditions, and specific examples continue to inspire new areas of chemical research. Many of the natural systems incorporate a transition metal ion but the function of that metal ion is strongly dependent on its protein environment. Thus, haeme proteins perform a variety of functions including oxygen transport and storage, electron transport, and oxygen activation3 although the active site is an iron porphyrin in each case. The role of the protein has been examined
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A. Abzaeva, Klavdia, and Boris G. Sukhov. "Nanostructured Metal Polyacrylates as Both Local Hemostatics and Antimicrobials." In Nanotechnology and Nanomaterials. IntechOpen, 2024. http://dx.doi.org/10.5772/intechopen.114912.

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A methodological approach to directed synthesis of biopharmaceutical composites allows solving an urgent problem: the development of fundamentally new high-molecular materials intended for the interaction of synthetic substances with the biological environment, e.g., with blood. Polymer composites containing ionogenic groups and nanoparticles are capable of complementary conformational transformations and cooperative binding. Functional polymer materials with a wide range of biological activity have been designed on the basis of essential elements and nanoparticles of noble metals. Potential h
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Conference papers on the topic "Conformational transformations"

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Abdulhafez, Moataz, Se Youn Cho, Golnaz Tomaraei, and Mostafa Bedewy. "Microwave-Assisted Processing of Regenerated Silk Fibroin Films." In ASME 2019 14th International Manufacturing Science and Engineering Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/msec2019-2932.

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Abstract Regenerated silk fibroin (RSF) is an emerging material derived from natural silk. Thin RSF films are transparent, biocompatible and biodegradable, which makes them suitable for many applications, such as flexible/conformal and transient electronics, bioresorbable devices, bioresists for lithography, and edible food protective coatings. To realize these applications, controlling and tuning the properties of RSF films is required to fully exploit their unique mechanical, optical, and degradation properties. Here, a new approach for tuning these properties is presented based on inducing
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Brovarets', Ol’ha, Kostiantyn Tsiupa, Andrii Dinets та Dmytro Hovorun. "Quantum-mechanical survey of the novel conformational and tautomeric transformations of the classical Watson-Crick А·Т(WC), reverse Watson-Crick А·Т(rWC), Hoogsteen А·Т(Н) and reverse Hoogsteen А·Т(rН) DNA base pairs". У International Youth Science Forum “Litteris et Artibus”. Lviv Polytechnic National University, 2018. http://dx.doi.org/10.23939/lea2018.01.136.

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Golovach, Anna P., Alexander S. Kozlovski, Ivan I. Lishtvan, Nicolai A. Nemkovich, and Anatoly N. Rubinov. "Conformational transformation of humic substances in water." In Laser Applications in Life Sciences: 5th International Conference, edited by Pavel A. Apanasevich, Nikolai I. Koroteev, Sergei G. Kruglik, and Victor N. Zadkov. SPIE, 1995. http://dx.doi.org/10.1117/12.197415.

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Carreira, Beatriz Liara, Analice Costacurta Brandi, Laison Junio da Silva Furlan, Matheus Tozo de Araujo, and Leandro Franco de Souza. "Log-Conformation and Square Root-Conformation Transformations in High Weissenberg Number Flows." In 25th International Congress of Mechanical Engineering. ABCM, 2019. http://dx.doi.org/10.26678/abcm.cobem2019.cob2019-1949.

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Nemkovich, Nicolai A., Anna P. Golovach, Alexander S. Kozlovsky, Ivan I. Lishtvan, and Anatoly N. Rubinov. "Laser spectrofluorometry of humic substances conformational transformation in water." In European Symposium on Optics for Environmental and Public Safety, edited by George M. Russwurm. SPIE, 1995. http://dx.doi.org/10.1117/12.221091.

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Van, Vinh, Wolfgang Stahl, and Ha Nguyen. "CONFORMATIONAL TRANSFORMATION OF FIVE-MEMBERED RINGS: THE GAS PHASE STRUCTURE OF 2-METHYLTETRAHYDROFURAN." In 70th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2015. http://dx.doi.org/10.15278/isms.2015.mg06.

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Kwok, Samuel, Kate Maguire, and Gertrude Shotte. "Questing for Brand Authenticity of Luxury Products: Consumers' Goal-contingent Process as Self-image Conformation Online." In International Conference on Transformations and Innovations in Management (ictim-17). Atlantis Press, 2017. http://dx.doi.org/10.2991/ictim-17.2017.40.

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Carreira, Beatriz Liara, Analice Costacurta Brandi, Matheus Tozo de Araujo, Laison Junio da Silva Furlan, and Leandro Franco de Souza. "HYDRODYNAMIC STABILITY ANALYSIS IN HIGH WEISSENBERG NUMBER FLOWS VIA LOG-CONFORMATION TRANSFORMATION." In 12th Spring School on Transition and Turbulence. ABCM, 2020. http://dx.doi.org/10.26678/abcm.eptt2020.ept20-0047.

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Nakayama, H. "Structure and Relaxation of Amorphous Molecular Systems Studied by Transformation between Conformation Isomers." In FLOW DYNAMICS: The Second International Conference on Flow Dynamics. AIP, 2006. http://dx.doi.org/10.1063/1.2204480.

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Shutikov, A. A., G. M. Arzumanyan, K. Z. Mamatkulov, E. Arynbek та D. S. Zakrytnaya. "ANALYSIS OF THE SECONDARY STRUCTURE OF AΒ (1-42) PEPTIDE IN THE AMIDE I REGION BY RAMAN SPECTROSCOPY". У X Международная конференция молодых ученых: биоинформатиков, биотехнологов, биофизиков, вирусологов и молекулярных биологов — 2023. Novosibirsk State University, 2023. http://dx.doi.org/10.25205/978-5-4437-1526-1-220.

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Amyloid fibrils found in plaques in Alzheimer’s disease (AD) brains are composed of amyloid-β peptides. Aβ peptides are formed from the transmembrane amyloid precursor protein (APP). They have pronounced fibrillogenic properties, and its oligomers are toxic to nerve cells, causing their degeneration and death. Oligomeric amyloid-β (1-42) is thought to play a critical role in neurodegeneration in AD. In this work, we analyzed the conformational transformation of Aβ (1-42) peptides embedded in membrane mimetics by Raman spectroscopy. The main goal of the scientific study was to investigate the s
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Reports on the topic "Conformational transformations"

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Wu, Zhijun. The effective energy transformation scheme as a special continuation approach to global optimization with application to molecular conformation. Office of Scientific and Technical Information (OSTI), 1996. http://dx.doi.org/10.2172/395617.

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