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Data publikacji: 6 września 2023

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1

Tengel, Tobias. "Studies of protein structure, dynamics and protein-ligand interactions using NMR spectroscopy." Doctoral thesis, Umeå : Univ, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-1472.

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2

Amero, Carlos D. "Protein Function Study by NMR Spectroscopy." The Ohio State University, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=osu1205431343.

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3

Debelouchina, Galia Tzvetanova. "Amyloid fibril structure of peptides and proteins by magic angle spinning NMR spectroscopy and dynamic nuclear polarization." Thesis, Massachusetts Institute of Technology, 2011. http://hdl.handle.net/1721.1/68485.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2011.<br>Vita. Cataloged from student-submitted PDF version of thesis.<br>Includes bibliographical references.<br>Amyloid fibrils are insoluble, non-crystalline protein filaments associated with a number of diseases such as Alzheimer's and Type Il diabetes. They can have a functional role in different organisms and many proteins and peptides have been found to form amyloid fibrils in vitro. We have used magic angle spinning (MAS) NMR spectroscopy to investigate the structure of two amyloid fibril systems - an 11- resid
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4

Unnikrishnan, Aparna. "INVESTIGATION OF PROTEIN STRUCTURE AND DYNAMICS BY NMR SPECTROSCOPY." The Ohio State University, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=osu1595418229203869.

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5

Thurgood, Andrew G. P. "NMR studies of the structure and dynamics of proteins and peptides." Thesis, University of East Anglia, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.253623.

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6

Rönnols, Jerk. "Structure, dynamics and reactivity of carbohydrates : NMR spectroscopic studies." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-92408.

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The main focus of this thesis is on the ring conformations of carbohydrate molecules; how the conformational equilibria and the rates of the associated interconversions are affected by the molecular constitution and their surroundings. The conformational equilibria of a group of amine linked pseudodisaccharides, designed as potential glycosidase inhibitors, comprising α-D-altrosides are described in Chapter 3. The OS2 conformation was largely populated, and the ring conformation was found to depend on the charge of the amine functionality. The conformations of β-D-xylopyranoside derivatives wi
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7

Conroy, Daniel William. "Structural Studies of Biomolecules by Dynamic Nuclear Polarization Solid-State NMR Spectroscopy." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1555428362333615.

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8

Nagapudi, Karthik. "Solid-state NMR investigation of structure and dynamics of polyrotaxanes." Thesis, Georgia Institute of Technology, 1997. http://hdl.handle.net/1853/8638.

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9

Tomaszewski, John William. "Structure and dynamics of small proteins by NMR /." Thesis, Connect to this title online; UW restricted, 2002. http://hdl.handle.net/1773/11541.

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10

Birk, Olsen Helle. "Investigations of structure and dynamics of insulin mutants using NMR spectroscopy /." Roskilde : Department of Life Sciences and Chemistry, Roskilde University, 1996. http://hdl.handle.net/1800/464.

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11

Thirumoorthy, Ramanan. "NMR studies of structure and dynamics of novel peptide-based melanocortin receptor antagonists." [Gainesville, Fla.] : University of Florida, 2002. http://purl.fcla.edu/fcla/etd/UFE1001186.

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12

Drew, Daniel L. Jr. "Investigating the Structure and Dynamic Properties of Bacteriophage S21 Pinholin Using Solid-State Nuclear Magnetic Resonance and Electron Paramagnetic Resonance Spectroscopy." Miami University / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=miami1610187893016095.

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13

Dallmann, André. "Structure and dynamics of fluorophore-labelled DNA helices probed by NMR-spectroscopy." Doctoral thesis, Humboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2010. http://dx.doi.org/10.18452/16065.

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Mittels NMR-Spektroskopie werden Störungen in Struktur und Dynamik von DNA untersucht, die durch den Einbau jeweils eines der beiden Fluorophore 2- Aminopurin (2AP) und 2-Hydroxy-7-nitrofluoren (HNF) hervorgerufen werden. Zu diesem Zweck werden die NMR-Strukturen der modifizierten Duplexe mit der Sequenz 5’-GCTGCAXACGTCG-3’ berechnet. Im Fall X=2AP (13mer2AP) ist die Partnerbase im Komplementärstrang ein T, während gegenüber X=HNF (13mer- HNF) eine abasische Stelle eingeführt wird. Durch den Vergleich der Ergebnisse zum 13mer2AP mit denjenigen des entsprechenden unmodifizierten DNA Dop
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14

Wang, Tuo Ph D. Massachusetts Institute of Technology. "Structure and dynamics of plant cell walls and membrane peptides from solid-state NMR." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/103710.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemistry, 2016.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references.<br>Solid-state nuclear magnetic resonance (SSNMR) is a powerful technique to study the structure, dynamics and interactions of bio-macromolecules. This thesis mainly focuses on the characterization of the architecture and loosening of primary plant cell walls and the interactions between membrane and peptides. Plant cell wall is a complex system mainly comprising three types of insoluble polysaccharides: cellulose, hemicellulose
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15

Rapp, Almut. "Structure and dynamics of supramolecular assemblies studied by advanced solid-state NMR spectroscopy." [S.l. : s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=969937962.

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16

Xu, Xiaolin, and Xiaolin Xu. "Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics." Diss., The University of Arizona, 2017. http://hdl.handle.net/10150/626369.

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Solid-state Nuclear Magnetic Resonance (NMR)is one of the premiere biophysical methods that can be applied for addressing the structure and dynamics of biomolecules, including proteins, lipids, and nucleic acids. It illustrates the general problem of determining the average biomolecular structure, including the motional mean-square amplitudes and rates of the fluctuations. Lineshape and relaxtion studies give us a view into the molecular properties under different environments. To help the understanding of NMR theory, both lineshape and relaxation experiments are conducted with hexamethylbez
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17

Landström, Jens. "Structure, dynamics and interactions of biomolecules : investigations by NMR spectroscopy and computational methods /." Stockholm : Department of Organic Chemistry, Stockholm University, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-30120.

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Diss. (sammanfattning) Stockholm : Stockholms universitet, 2009.<br>At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 3: Submitted. Paper 4: Submitted. Paper 5: In progress. Paper 6: In progress. Paper 7: Manuscript. Härtill 7 uppsatser.
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18

Philippopoulos, Marios. "Comparative studies of protein structure and dynamics by molecular dynamics simulation, NMR spectroscopy and x-ray crystallography." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/nq41038.pdf.

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19

Flodell, Sara. "Structure and Dynamics of the Hepatitis B Virus Encapsidation Signal Revealed by NMR Spectroscopy." Doctoral thesis, Umeå : Univ, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-316.

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20

Brodsky, Alexander S. (Alexander Simon) 1970. "Structure and dynamics of the HIV-2 TAR RNA-argininamide complex by NMR spectroscopy." Thesis, Massachusetts Institute of Technology, 1998. http://hdl.handle.net/1721.1/49982.

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21

Zhu, Leiming. "A study of spin dynamics and molecular structure of nucleic acids by NMR /." Thesis, Connect to this title online; UW restricted, 1994. http://hdl.handle.net/1773/11543.

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22

Ying, Jinfa. "Studies of biologically active peptides by NMR and molecular dynamics simulations: From structure and dynamics to design and synthesis." Diss., The University of Arizona, 2004. http://hdl.handle.net/10150/280667.

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Nuclear magnetic resonance spectroscopy and molecular dynamics simulation have been used to study the structure and dynamics of biologically active peptide ligands for glucagon and melanocortin receptors, providing valuable insights into the receptor ligand interactions and useful information for the further design of more potent and selective ligands for these receptors. The NMR structure of the potent glucagon antagonist [desHis¹, desPhe⁶, Glu⁹]glucagon amide consists of an unstructured N-terminal segment (2-5), an irregular helix (7-14), a hinge region (15-18), and a well-defined α-helix (1
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23

Guan, Xiao, and 关晓. "NMR approaches to protein conformation and backbone dynamics: studies on hyperthermophilicacylphosphatase and neuropeptide secretoneurin." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2010. http://hub.hku.hk/bib/B44079230.

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24

Wagstaff, Jane Louise. "Structure, dynamics and interaction studies of integrin avb6 specific peptides using nuclear magnetic resonance spectroscopy." Thesis, University of Kent, 2011. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.544092.

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25

Li, Xing. "Structure and dynamics of alamethicin dimers by high-resolution proton and nitrogen-15 NMR spectroscopy." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape2/PQDD_0026/MQ51741.pdf.

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26

Li, Xing. "Structure and dynamics of alamethicin dimers by high-resolution proton and nitrogen-15 NMR spectroscopy." Ottawa : National Library of Canada = Bibliothèque nationale du Canada, 2001. http://www.nlc-bnc.ca/obj/s4/f2/dsk1/tape2/PQDD%5F0026/MQ51741.pdf.

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27

Iwakawa, Naoto. "Dynamic Structural Changes of Proteins Revealed by NMR Spectroscopy Under Physicochemical Perturbations." Doctoral thesis, Kyoto University, 2021. http://hdl.handle.net/2433/263679.

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28

John, Michael. "Structure and exchange dynamics of the apical domains of the thermosome and human saposins by NMR spectroscopy." [S.l.] : [s.n.], 2004. http://deposit.ddb.de/cgi-bin/dokserv?idn=972320008.

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29

Abu-Baker, Shadi. "Solid-State NMR Spectroscopic Studies on Phospholamban and Saposin C Proteins in Phospholipid Membranes." Miami University / OhioLINK, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=miami1185851259.

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30

Ghimire, Harishchandra. "Structure, Dynamics, and Distance Measurements in Membrane Proteins and Peptides using EPR Spectroscopic Techniques." Miami University / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=miami1291739688.

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31

Hudson, Frederick Michael Lewis. "NMR characterization guides the design of beta hairpins and sheets while providing insights into folding cooperativity and dynamics /." Thesis, Connect to this title online; UW restricted, 2006. http://hdl.handle.net/1773/8639.

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32

Gao, Xinfeng. "Studies of the structure and interaction of several neuropeptides in membrane mimics by NMR spectroscopy and molecular dynamics simulation /." free to MU campus, to others for purchase, 2004. http://wwwlib.umi.com/cr/mo/fullcit?p3137700.

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33

Whittaker, Sara Britt-Marie. "An investigation into the structure and dynamics of the DNase domain of colicin E9 by heteronuclear NMR spectroscopy." Thesis, University of East Anglia, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.266728.

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34

Granata, Daniele. "Characterizing Structure and Free Energy Landscape of Proteins by NMR-guided Metadynamics." Doctoral thesis, SISSA, 2013. http://hdl.handle.net/20.500.11767/4824.

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In the last two decades, a series of experimental and theoretical advances has made it possible to obtain a detailed understanding of the molecular mechanisms underlying the folding process of proteins. With the increasing power of computer technology, as well as with the improvements in force fields, atomistic simulations are also becoming increasingly important because they can generate highly detailed descriptions of the motions of proteins. A supercomputer specifically designed to integrate the Newton's equations of motion of proteins, Anton, has been recently able to break the millisecond
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35

Sahakyan, Aleksandr B. "Extending the boundaries of the usage of NMR chemical shifts in deciphering biomolecular structure and dynamics." Thesis, University of Cambridge, 2012. https://www.repository.cam.ac.uk/handle/1810/243642.

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NMR chemical shifts have an extremely high information content on the behaviour of macromolecules, owing to their non-trivial dependence on myriads of structural and environmental factors. Although such complex dependence creates an initial barrier for their use for the characterisation of the structures of protein and nucleic acids, recent developments in prediction methodologies and their successful implementation in resolving the structures of these molecules have clearly demonstrated that such barrier can be crossed. Furthermore, the significance of chemical shifts as useful observables in
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36

Shannon, Matthew D. "High Resolution Structural and Dynamic Studies of Biomacromolecular Assemblies using Solid-State NMR Spectroscopy." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1534321838601796.

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37

Kim, Gunwoo. "Understanding local structure and dynamics of the proton-conducting solid electrolytes CsH₂PO₄ and CsH(PO₃H) by solid-state NMR spectroscopy." Thesis, University of Cambridge, 2014. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.708211.

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38

Iordanov, Iordan. "Structure and dynamics of the outer membrane protein A from Klebsiella pneumoniae : a joint NMR–SMFS–proteolysis and MS approach." Toulouse 3, 2012. http://thesesups.ups-tlse.fr/1602/.

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"KpOmpA est une protéine de la membrane externe de K. Pneumoniae. Elle fait partie de la famille des "outer membrane protein A", OmpA. KpOmpA est une protéine constituée de deux domaines: un domaine transmembranaire structuré en tonneau ß et une partie soluble, périplasmique. Le domaine transmembranaire de KpOmpA présente une homologie importante avec celle d'OmpA d'E. Coli dont la structure a été déterminée par cristallographie aux rayons X et spectroscopie RMN. OmpA d'E. Coli est responsable lors de la formation de biofilm. Elle a un rôle d'adhésine et d'invasine. Elle est la cible préférent
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39

Lignell, Martin. "Structural Transitions in Helical Peptides : The Influence of Water – Implications for Molecular Recognition and Protein Folding." Doctoral thesis, Uppsala universitet, Kemisk fysik, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-109396.

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Fluctuations in protein structure are vital to function. This contrasts the dominating structure-function paradigm, which connects the well-defined three-dimensional protein structure to its function. However, catalysis is observed in disordered enzymes, which lack a defined structure. Disordered proteins are involved in molecular recognition events as well. The aim of this Thesis is to describe the structural changes occuring in protein structure and to investigate the mechanism of molecular recognition. Protein architecture is classified in a hierarchical manner, that is, it is categorized i
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40

Hanni, M. (Matti). "Static and dynamic NMR properties of gas-phase xenon." Doctoral thesis, University of Oulu, 2011. http://urn.fi/urn:isbn:9789514294570.

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Abstract This thesis presents computational studies of both the static and dynamic parameters of the nuclear magnetic resonance (NMR) spectroscopy of gaseous xenon. First, state-of-the-art static magnetic resonance parameters are computed in small xenon clusters by using methods of quantum chemistry, and second, time-dependent relaxation phenomena are investigated via molecular dynamics simulations at different experimental conditions. Based on the underlying quantum and classical mechanics concepts, computational methods represent a procedure complementary to experiments for investigating the
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41

Jean-François, Frantz. "Vers un nouveau mode d’action de peptides antimicrobiens structurés en feuillets ß : formation de domaines membranaires par la cateslytine." Thesis, Bordeaux 1, 2008. http://www.theses.fr/2008BOR13638/document.

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Le peptide antimicrobien Cateslytine (bCGA RSMRLSFRARGYGFR ) inhibe la libération des catécholamines des cellules chromaffines. Des études biologiques ont montré que ce peptide est capable d’inhiber aussi la croissance de nombreux microorganismes notamment des bactéries, des levures ainsi que le parasite Plasmodium falciparum responsable de la malaria. Cependant, le mode d’action moléculaire demeurait inconnu. Afin de mieux comprendre le ciblage et la sélectivité de ce peptide sur les membranes de mammifères ou de microorganismes, nous avons donc envisagé la reconstitution du système biologiqu
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42

Asami, Sam [Verfasser], Bernd [Akademischer Betreuer] Reif, Andreas [Akademischer Betreuer] Möglich, and Hartmut [Akademischer Betreuer] Oschkinat. "Method development for biomolecular solid-state NMR spectroscopy : accessing structure and dynamics of biomolecules in the solid-state / Sam Asami. Gutachter: Bernd Reif ; Andreas Möglich ; Hartmut Oschkinat." Berlin : Humboldt Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2014. http://d-nb.info/1060425262/34.

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43

Asami, Sam [Verfasser], Bernd Akademischer Betreuer] Reif, Andreas [Akademischer Betreuer] Möglich, and Hartmut [Akademischer Betreuer] [Oschkinat. "Method development for biomolecular solid-state NMR spectroscopy : accessing structure and dynamics of biomolecules in the solid-state / Sam Asami. Gutachter: Bernd Reif ; Andreas Möglich ; Hartmut Oschkinat." Berlin : Humboldt Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2014. http://nbn-resolving.de/urn:nbn:de:kobv:11-100220957.

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44

Migliore, Mattia. "Recherche par modélisaion moléculaire de signatures RMN et DC caractéristiques pour les coudes β et y dans les peptides bioactifs. Characterization of β-turns by electronic circular dichroism spectroscopy : a coupled molecular dynamics and time-dependent density functional theory computational study". Thesis, Normandie, 2020. http://www.theses.fr/2020NORMR001.

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Ce travail de thèse a porté sur la recherche, par modélisation moléculaire, de signatures RMN et DC caractéristiques pour les coudes γ et β dans les peptides bioactifs. Les coudes γ et β, avec les hélices, constituent des motifs privilégiés de reconnaissance des peptides bioactifs par leurs cibles. Or, bien qu’il existe, au sein des structures de polypeptides, plusieurs catégories de coudes possédant des géométries différentes (2 types de coudes γ et 12 types de coudes β), peu d’outils expérimentaux sont disponibles pour aider à leur distinction. Ainsi, seuls 4 types de coudes β (I, I’, II et
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45

Weinhaeupl, Katharina. "Etudes de structure, interactions et dynamique dans des complexes de protéines "chaperone" à l'échelle atomique par spectroscopie RMN." Thesis, Université Grenoble Alpes (ComUE), 2018. http://www.theses.fr/2018GREAV002.

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Les chaperons moléculaires, une famille de protéines diverses en structure et taille, sont dédiés à accompagner, replier et protéger d’autres protéines afin qu’elles atteignent leur conformation finale et leur emplacement dans la cellule. Dans ce but, les chaperons moléculaires doivent être hautement spécialisés dans l’exécution de tâches spécifiques, telles que le repliement, le transport ou la désagrégation, et polyvalents dans leur motifs de reconnais- sance, afin de pouvoir interagir avec un grand nombre de protéines di érentes. Di érents chaperons moléculaires collabor
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46

Li, Xuesong. "Synthesis and physical properties of helical nanosized quinoline-based foldamers : structure, dynamics and photoinduced electron transport." Thesis, Bordeaux, 2016. http://www.theses.fr/2016BORD0013/document.

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Ce travail présente la synthèse, la caractérisation et l’utilisation (transfert électronique photo-induit) de foldamères de taille nanométriques constitués d’unité quinolines. Grâce a une stratégie de synthèse de doublement de segment une grande variété d’oligomères (jusqu’à 96 unités) ont pu être préparé à partir du synthon 8 aminoquinoline-2-carboxylate.Leurs propriétés dynamiques de ces objets ont été étudiées en solution et en phase gazeuse. La spectrométrie de masse de mobilité ionique a permis de déterminer leur conformation en phase gazeuse. Les expériences de RMN DOSY et d’anisotropie
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47

Andronesi, Ovidiu-Cristian. "Solid-state NMR of (membrane) protein complexes novel methods and applications /." Doctoral thesis, [S.l.] : [s.n.], 2006. http://webdoc.sub.gwdg.de/diss/2006/andronesi.

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48

Abd, Rahim Munirah Sufiyah [Verfasser], Sonja A. [Akademischer Betreuer] Dames, Bernd [Gutachter] Reif, and Sonja A. [Gutachter] Dames. "Characterization of the structure, dynamics and immersion properties of the membrane-associating FATC domain of ataxia telangiectasia mutated by solution NMR spectroscopy and complementary methods / Munirah Sufiyah Abd Rahim ; Gutachter: Bernd Reif, Sonja A. Dames ; Betreuer: Sonja A. Dames." München : Universitätsbibliothek der TU München, 2019. http://d-nb.info/1182536360/34.

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49

Lundborg, Magnus. "Computer-Assisted Carbohydrate Structural Studies and Drug Discovery." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-56411.

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Carbohydrates are abundant in nature and have functions ranging from energy storage to acting as structural components. Analysis of carbohydrate structures is important and can be used for, for instance, clinical diagnosis of diseases as well as in bacterial studies. The complexity of glycans makes it difficult to determine their structures. NMR spectroscopy is an advanced method that can be used to examine carbohydrates at the atomic level, but full assignments of the signals require much work. Reliable automation of this process would be of great help. Herein studies of Escherichia coli O-an
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50

Rodgers, Christopher T. "Magnetic field effects in chemical systems." Thesis, University of Oxford, 2007. http://ora.ox.ac.uk/objects/uuid:f5878b88-c5ba-4cbd-83af-857431aef66e.

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Magnetic fields influence the rate and/or yield of chemical reactions that proceed via spin correlated radical pair intermediates. The field of spin chemistry centres around the study of such magnetic field effects (MFEs). This thesis is particularly concerned with the effects of the weak magnetic fields B₀ ~ 1mT relevant in the ongoing debates on the mechanism by which animals sense the geomagnetic field and on the putative health effects of environmental electromagnetic fields. Relatively few previous studies have dealt with such weak magnetic fields. This thesis presents several new theoret
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