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Dissertations / Theses on the topic 'Conformational analysis'

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Published: 4 June 2021

Last updated: 25 July 2025

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1

Smith, Timothy Andrew David. "Conformational analysis studies in NMR spectroscopy." Thesis, University of Liverpool, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243220.

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2

Howe, T. J. "Conformational interactions involving aromatic rings." Thesis, University of East Anglia, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.383728.

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3

Bacon, John. "Conformational analysis of cyclohexandiols and related compounds." Thesis, University of South Wales, 1987. https://pure.southwales.ac.uk/en/studentthesis/conformational-analysis-of-cyclohexandiols-and-related-compounds(d78175ac-be32-45a5-907a-892feb68c54d).html.

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The conformational equilibria in disubstituted cyclohexanes containing polar groups lead to a diversity of conformational forms. In solution, the conformational preference is shown to be highly dependent upon the nature of the solvent. In the cyclohexandiol series, the formation of intramolecular and intermolecular hydrogen bonds determines the conformational preference with regard to the molecule as a whole and with respect to the rotamer conformation of the hydroxyl groups. Polar solvents capable of hydrogen bonding to the hydroxyl group have been shown to influence the position of equilibri

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4

Mistry, Jinesh. "Synthesis and conformational analysis of polyarene dendrimers." Thesis, University of Manchester, 2016. https://www.research.manchester.ac.uk/portal/en/theses/synthesis-and-conformational-analysis-of-polyarene-dendrimers(650b10eb-6afd-471c-b688-5f86ee65f42c).html.

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Polyarene dendrimers with rigid aromatic regions are of interest due to their shape persistent nature. A novel series of G1 dendrimers containing a substituted 1,3-phenyl core are reported and were found to exhibit atropisomerism. This was investigated in the solid state (X ray), in solution (NMR), and via computational studies. The synthesis of fluorinated G1 dendrimers allowed for the analysis of interconversion between conformations via 19F-19F EXSY NMR (exchange spectroscopy). These were shown to exist as two distinct sets of three interconverting atropisomers. Each atropisomer was identif

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5

Wodtke, Robert, Gloria Ruiz-Gómez, Manuela Kuchar, et al. "Cyclopeptides containing the DEKS motif as conformationally restricted collagen telopeptide analogues: synthesis and conformational analysis." Royal Society of Chemistry, 2015. https://tud.qucosa.de/id/qucosa%3A36280.

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The collagen telopeptides play an important role for lysyl oxidase-mediated crosslinking, a process which is deregulated during tumour progression. The DEKS motif which is located within the N-terminal telopeptide of the α1 chain of type I collagen has been suggested to adopt a βI-turn conformation upon docking to its triple-helical receptor domain, which seems to be critical for lysyl oxidase-catalysed deamination and subsequent crosslinking by Schiff-base formation. Herein, the design and synthesis of cyclic peptides which constrain the DEKS sequence in a β-turn conformation will be describe

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6

Marchesi, Chiara. "Conformational analysis and absolute configuration of Spiropyrazolones." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2017. http://amslaurea.unibo.it/13968/.

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The relative configuration of the four stereocenters of spiropyrazolones 1, epi-1 and 2 was determined by NMR-NOE analysis. It turned out that while compound 1 has the 1R*, 2S*, 3R*, 4S* relative configuration, epi-1 is the diastereoisomer at the C-4 (1R*, 2S*, 3R*, 4R* relative configuration). A full conformational analysis was performed by Molecular Mechanics (MMFF field) scan of the potential energy surface, and the best conformations were optimized by DFT calculations, including the effect of the solvent in the calculations. The absolute configuration of the three compounds was then deter

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7

Genov, Daniel G. "Conformational analysis of 2-hydroxyalkyl phosphoryl compounds." Thesis, Staffordshire University, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.306955.

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8

Edwards, Wayne Robert. "Conformational analysis of thylakoid lumen precursor proteins." Thesis, University of Warwick, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.367106.

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9

Combettes, Lorraine Eugenie Aurelie. "Synthesis and conformational analysis of fluorinated pyrrolidines." Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:e0fa50a1-5f18-41d5-8cee-d0cb2e0a80de.

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The aim of this thesis was to investigate the synthesis and the conformational analysis of fluorinated pyrrolidines. We focused on two strategies namely, the iodoamination and fluoroamination of fluorinated precursors. Iodoamination Our first approach for the synthesis of fluorinated pyrrolidines relied on the iodocyclisation of allylic fluorides bearing pendant nitrogen nucleophiles. These allylic fluorides were obtained by fluorodesilylation of suitably functionalised allylsilanes. After validation of this methodology, the scope and limitations of the iodoamination were investigated. Further

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10

Wong, Lilly. "Conformational analysis of C-terminal Src kinase /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2004. http://wwwlib.umi.com/cr/ucsd/fullcit?p3153687.

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11

Walters, William Patrick. "Applications of artificial intelligence in conformational analysis." Diss., The University of Arizona, 1995. http://hdl.handle.net/10150/187212.

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Conformational analysis provides a means of understanding a wide variety of chemical interactions. However, the complexity of the potential energy hypersurface for large molecules has restricted the use of conformational search in molecular modeling. The model building, or template joining, method employed by the WIZARD program is capable of overcoming many of the shortcomings of commonly used conformational search programs. While WIZARD has been shown to be widely applicable, the program still possesses a few limitations. This dissertation describes work done to overcome these limitations. Wh

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12

Zaccheus, Mona. "Structural and Conformational Studies of Oligo- and Polysaccharides." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-75050.

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The focus of this thesis is to examine the structural properties of polysaccharides produced by bacteria, as well as the dynamic and conformational behavior of a synthetically derived oligosaccharide. The primary structures of the O-polysaccharide repeating units of four different Escherichia coli (E. coli) strains, namely O175, O177, O103 and TD2158, as well as the first report of a capsular polysaccharide produced by lactic acid bacteria Leuconostoc mesenteroides ssp. cremoris PIA2 are reported in paper I–V. Structural analyses have been performed using a combination of nuclear magnetic reso

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13

Collins, Nathanael. "Conformational analysis and molecular modelling of cyclic hexapeptides." Thesis, University of Southampton, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.357259.

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14

Doherty, Ruth. "Synthesis, coordination chemistry and conformational analysis of phosphacyclohexanones." Thesis, University of Bristol, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.441314.

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15

Boyd, Kenneth G. "The synthesis and conformational analysis of biological molecules." Thesis, University of Edinburgh, 1992. http://hdl.handle.net/1842/12536.

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This thesis discusses the synthesis and structural analysis of molecules pertinent to current problems in the areas of biosynthesis, structure activity relationships and cell biology. Chapter one investigates the structure of an N-terminal blocked derivative of methionine <SUP>5 </SUP>enkephalin, in DMSO solution, using single and two dimensional nmr techniques. Analysis of the data using standard methods indicates the formation of a type I' beta turn centered around the two glycine residues. Chapter two deals with the development and optimisation of a synthesis of D,L tyrosine which is suitab

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16

Ranieri, Silvia <1987&gt. "Synthesis and conformational analysis of heteroaromatic atropisomeric systems." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2015. http://amsdottorato.unibo.it/6989/1/ranieri_silvia_tesi.pdf.

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The research work reported in this Thesis was held along two main lines of research. The first and main line of research is about the synthesis of heteroaromatic compounds with increasing steric hindrance, with the aim of preparing stable atropisomers. The main tools used for the study of these dynamic systems, as described in the Introduction, are DNMR, coupled with line shape simulation and DFT calculations, aimed to the conformational analysis for the prediction of the geometries and energy barriers to the trasition states. This techniques have been applied to the research projects about:

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17

Ranieri, Silvia <1987&gt. "Synthesis and conformational analysis of heteroaromatic atropisomeric systems." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2015. http://amsdottorato.unibo.it/6989/.

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The research work reported in this Thesis was held along two main lines of research. The first and main line of research is about the synthesis of heteroaromatic compounds with increasing steric hindrance, with the aim of preparing stable atropisomers. The main tools used for the study of these dynamic systems, as described in the Introduction, are DNMR, coupled with line shape simulation and DFT calculations, aimed to the conformational analysis for the prediction of the geometries and energy barriers to the trasition states. This techniques have been applied to the research projects about:

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18

Keller, Thomas Hugo. "Conformationally controlled reactions in 14-membered macrolides." Thesis, University of British Columbia, 1988. http://hdl.handle.net/2429/28844.

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The conformationally controlled reactions of macrolides 42, 43, 72 and 74 were investigated. Treatment of these 14-membered lactones with hydride reducing agents and organocopper reagents led to diastereoselective product formation. The product distributions could be rationalized using low energy starting material or product conformations. A detailed conformational analysis involving MM2/MMP2 calculations and X-ray crystallographic studies led to a simple model for determining these low energy conformations. In order to simplify the identification of ring conformations, an improved procedure

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19

Grail, Barry Mark. "Molecular recognition of peptides." Thesis, Bangor University, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.248898.

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20

Durst, Gregory L. "Conformational analysis of phosphine ligands, using molecular mechanics and cone angle calculations." Virtual Press, 1988. http://liblink.bsu.edu/uhtbin/catkey/539633.

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An empirical approach to the study of phosphine compounds was completed using Molecular Mechanics 2 (MM2), and several computer programs written to descibe and analyze the final geometric orientations of the molecules. The calculations were performed on 64 conformers of 16 different phosphines. Results from these calculations were compared to those previously obtained for MNDO and MINDO/3 calculations, and to experimental data. Cone angles calculated from the MM2 optimized geometries, were compared to Tolman's original work, and to values obtained from semiempirical calculations, and to experi

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21

Leach, Andrew Richard. "The application of artificial intelligence techniques in conformational analysis." Thesis, University of Oxford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.314898.

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22

Mansell, David James. "myo-Inositol 1,2,3-trisphosphate : iron chelation and conformational analysis." Thesis, University of Manchester, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.507205.

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Mammalian cells contain a pool of iron not strongly bound to proteins. The cellular ligands of this biologically important 'chelatable', 'labile' or 'transit' iron are not known. Such ligands are expected to prevent iron from undergoing redox cycles that catalyse hydroxyl radical formation. Amongst small cellular molecules, myo-inositol phosphates containing the equatorial-axial-equatorial 1,2,3-trisphosphate grouping, are very effective at complexing Fe3+ in such a 'safe' manner ill vitro. myo-Inositol hexakisphosphate (InsP6, phytic acid), the most abundant inositol phosphate, was consequent

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23

Dixon, John Mark. "The conformational analysis of cyclic compounds by NMR spectroscopy." Thesis, University of Nottingham, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.293631.

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24

Readshaw, S. A. "The conformational analysis of cyclic molecules by NMR spectroscopy." Thesis, University of Nottingham, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.378941.

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25

Khedhair, K. A. "The conformational analysis of cyclic compounds by spectroscopic methods." Thesis, University of Nottingham, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.353919.

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26

Koo, Byungjin. "Conjugated polymers and designed interfaces : conformational analysis and applications." Thesis, Massachusetts Institute of Technology, 2017. http://hdl.handle.net/1721.1/111326.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, 2017.<br>Cataloged from PDF version of thesis. Pages 160 and 161 are blank.<br>Includes bibliographical references.<br>The conformations of conjugated polymers can be altered by nearby environments. The intrapolymer conformation and interpolymer assemblies have a crucial impact on a variety of properties such as absorption, energy migration, and fluorescence. In this dissertation, the conformational changes and their effects on photophysics in different environments will be discussed. In Cha

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27

Pitkeathly, Maureen C. "The synthesis and conformational analysis of mitochondrial targeting peptides." Thesis, University of Edinburgh, 1991. http://hdl.handle.net/1842/12781.

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The thesis discusses protein targeting within cells, and in particular targeting to the mitochondrion. The synthesis and conformational analysis by CD and NMR of a mitochondrial targeting presequence peptide, and a non-functional deletion peptide are described. The intramitochondrial sorting of proteins is also discussed and investigated. Ch. 1 reviews the currently available knowledge of the mechanisms and factors involved in protein targeting. Ch. 2 describes the synthesis and purification of the 25 residue peptide corresponding to the mitochondrial targeting presequence of subunit IV of yea

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28

VITA, PATRIZIA. "Sugar-modified nucleosides: synthesis, conformational analysis and biological evaluation." Doctoral thesis, Università degli Studi di Camerino, 2009. http://hdl.handle.net/11581/401937.

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Nucleoside analogues are a pharmacologically diverse family that includes cytotoxic compounds, antiviral agents and immunosuppressive molecules. Considerable progress has been made in the search for novel nucleoside structures with anticancer and/or antiviral activity by modifications in the nucleobase and/or in the sugar moiety and several branched-chain sugar nucleosides have shown potent antitumor activity. These agents behave as antimetabolites that interact with a number of intracellular targets blocking the DNA chain elongation or interfering with biosynthesis of nucleosides and nucleoti

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29

D'Rozario, Robert S. G. "Conformational dynamics of proline-containing transmembrane helices." Thesis, University of Oxford, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.670181.

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30

Kaur, Baljit. "The conformational analysis of thyrotropin releasing hormone and its analogues." Thesis, Manchester Metropolitan University, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.284878.

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31

Elsby, David J. "Conformational analysis and dielectric relaxation of polycarbosilanes and related materials." Thesis, Aston University, 1994. http://publications.aston.ac.uk/9685/.

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The conformational characteristics of poly(dimethylsilmethylene), poly(dimethylsilethene), poly(dimethylsilethane) and a related material, poly(2,2,5,5-tetramethyl-1-oxa-2,5-disilapentane), have been investigated using the method of molecular mechanics. In this method, a quantitative analysis of the factors affecting the nature and magnitude of the bond rotation potentials governing their conformational behaviour has been undertaken. Along with their structural data, the results obtained were employed to calculate a variety of conformationally-dependent properties for these polymers, including

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32

Houseknecht, Justin B. "Conformational Analysis of Furanose Ring Systems: Experimental and Theoretical Studies." Connect to this title online, 2003. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1040404808.

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Thesis (Ph. D.)--Ohio State University, 2003.<br>Title from first page of PDF file. Document formatted into pages; contains xxiv, 529 p.; also includes graphics Includes bibliographical references (p. 510-529). Available online via OhioLINK's ETD Center

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33

Lee, Ting-wai. "Self-assembly and crystal structure analysis of some first-row transition metal coordination polymers of 1,3-bis(4-pyridyl)propane." Hong Kong : University of Hong Kong, 2001. http://sunzi.lib.hku.hk/hkuto/record.jsp?B23242322.

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34

Zhang, Fang. "The regulation of conformation and binding kinetics of integrin alphaLbeta2." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/24678.

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Thesis (M. S.)--Biomedical Engineering, Georgia Institute of Technology, 2008.<br>Committee Chair: Zhu, Cheng; Committee Member: Babensee , Julia; Committee Member: Garcia, Andres; Committee Member: McIntire, Larry; Committee Member: Selvaraj, Periasamy; Committee Member: Springer, Timothy

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35

李鼎威 and Ting-wai Lee. "Self-assembly and crystal structure analysis of some first-row transition metal coordination polymers of 1,3-bis(4-pyridyl)propane." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2001. http://hub.hku.hk/bib/B31224660.

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36

Kumarasinghe, Isuru Ransiri. "DESIGN, SYNTHESIS, NMR CONFORMATIONAL ANALYSIS AND DOCKING ANALYSIS OF NOVEL MULTIFUNCTIONAL MOLECULES FOR PAIN." Diss., The University of Arizona, 2010. http://hdl.handle.net/10150/193738.

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Currently, opioids are extensively used in clinical practices in order to treat pain in patients. However, prolonged administration of opioids are not feasible due to the development of side effects especially tolerance, constipation, addiction and dependence. Our drug design is mainly aimed to reduce opioid induce side effects such as development of tolerance. The first strategy examined involves design and synthesis of peptide based single molecules that have a mu agonist and delta agonist pharmacophore in combination with a COX2 inhibitory pharmacophore. A new molecule, 3-17 having good del

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37

Zych, Andrew John. "Conformational characterization of abiotic secondary structure based on aromatic stacking /." Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3008484.

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38

Angles, d'Ortoli Thibault. "Assembling and Unraveling Carbohydrates Structures : Conformational analysis of synthesized branched oligosaccharides." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-133106.

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Advances in the elaboration of vaccines and enzyme inhibitors rely on acquiring more knowledge about protein-carbohydrate binding events. Furthermore, the relationships between biological function and the three-dimensional properties of large glycans can be studied by focusing on the structural components they contained, namely, by scaling down the system under analysis. Chemical methods are useful assets as they allow the isolation and determination of epitopes; these small and recognizable fragments that lead to very specific interactions. In this thesis, biologically relevant saccharides we

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39

DePristo, Mark Andrew. "Ab initio conformational sampling for protein structure determination, analysis, and prediction." Thesis, University of Cambridge, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.615942.

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40

Iglesias, Mas Valentín. "Bioinformatic analysis on the determinants of protein aggregation and conformational conversion." Doctoral thesis, Universitat Autònoma de Barcelona, 2021. http://hdl.handle.net/10803/673197.

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L’agregació de proteïnes ha passat de ser gairebé una curiositat biofísica sense major interès a un dels camps més actius de la recerca, especialment des que es va esbrinar que podia ser la causa de diverses malalties en humans. L’agregació en proteïnes ve determinada en un primer terme per la seva seqüència aminoacídica, que és qui delimita les possibles interaccions entre els seus aminoàcids. Diferents factors modulen aquesta propensió intrínseca a agregar. Sovint les proteïnes assoleixen un plegament natiu que és energèticament més estable i que usualment amaga regions propenses a agregar,

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41

Harris, Richard. "Development of NMR methods for conformational analysis of 13C-enriched oligosaccharides." Thesis, University of St Andrews, 1998. http://hdl.handle.net/10023/14226.

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The conformation and dynamics of sialyl Lewisx and related oligosaccharides were investigated using high resolution nuclear magnetic resonance measurements, and molecular dynamics calculations. In order to increase the number of structural parameters for inclusion in the molecular modelling simulations, the oligosacchaiide sialyl Lewisx was chemo-enzymatically synthesised to a high degree of carbon-13 enrichment (< 99%). The incorporation of labelling allows editing of standard homonuclear NMR experiments by the 13C chemical shift, thus overcoming the spectral overlap which plagues carbohydrat

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42

LANDONI, NICOLA. "Exploring Design, Synthesis and Analysis of New Conformational Restricted Peptidomimetic Compounds." Doctoral thesis, Università degli Studi di Milano, 2009. http://hdl.handle.net/2434/148634.

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In the medicinal chemistry field, peptides represent probably one of the most important class of compounds for many reasons. The great range of biological applications connected to the natural activity of some of these compounds is so important that makes peptides a primary target in the scientific research. However, syntheses and studies of peptidic structures are sometimes very complicated, cause their molecular complexity and metabolic stability. For these reasons, recent research is focused on the realization of simpler products such as peptidomimetics, which are designed to preserve the

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43

Hagarman, Andrew Michael Schweitzer-Stenner Reinhard. "Conformations of unfolded and partially folded peptides and proteins probed by optical spectroscopy /." Philadelphia, Pa. : Drexel University, 2010. http://hdl.handle.net/1860/3313.

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44

McIntire, Mark Douglas. "Conformational studies of selected phosphines using an empirical computational approach." Virtual Press, 1985. http://liblink.bsu.edu/uhtbin/catkey/444702.

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Conformations of phenyl and alkyl substituted phosphines were studied by using an empirical computer program, CAMSEQ. The computer program employs potential energy functions for calculating non-bonded interactions. The three potential energy functions employed are: steric interactions, represented by Lennard-Jones 6-12 potentials; electrostatic interactions, computed from a Coulomb's Law function; and torsional barriers, approximated by a two-term cosine function. P-C and C-C torsional functions were parameterized for a variety of phosphorus and carbon substituents from published experimental

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45

Atzori, Alessio. "Conformational analysis of peptides and proteins for drug design using molecular simulations." Thesis, University of Manchester, 2015. https://www.research.manchester.ac.uk/portal/en/theses/conformational-analysis-of-peptides-and-proteins-for-drug-design-using-molecular-simulations(050ba296-a4c4-4a5b-87bf-66d90f7ddc5a).html.

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The intrinsic plasticity of biological systems provides opportunities for rational design of selective and potent ligands. Increasingly, computational methods are being applied to predict biomolecular flexibility. However, the motions involved in these processes can be large and occur on time scales generally difficult to achieve with standard simulation methods. In order to overcome the intrinsic limitations of classical molecular dynamics, this Ph.D. project focuses on the application of advanced sampling computational techniques to capture the plasticity of diverse biological systems. The f

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46

Hofacker, Amanda Lynn. "Analysis of cooperative, correlated motions in dynamic chiral secondary conformational states of macromolecular dendritic structures." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1155049363.

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47

Clyne, Dean Sutherland. "The synthesis and conformational analysis of 13- and 14-membered macrocyclic ethers." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp03/NQ27120.pdf.

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48

Whisstock, James Charles. "Analysis of conformational change using structural comparisons and modelling studies of serpins." Thesis, University of Cambridge, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.627564.

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49

Matthews, Richard P. "Conformational analysis of diglycosyl disulphides containing ßS(1-1)S interglycosidic linkages." Master's thesis, University of Cape Town, 2007. http://hdl.handle.net/11427/6329.

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Includes bibliographical references.<br>The conformation around the glycosidic linkage has been shown to be the single most important factor in determining the molecular shape of oligosaccharides. This property is of fundamental importance in influencing biological activity such as binding to enzymes or receptors. Therefore, knowledge of the conformational preference associated with glycosidic linkages is required. In this thesis the conformational preferences of the βS( 1-.1 ')8 glycosidic linkage within asymmetrical dissacharide mimetics have been studied using computational methods. The sul

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50

Alexander, Leila Tamara. "Mutational analysis of isoform selectivity and conformational equilibria in protein kinase inhibition." Thesis, University of Oxford, 2015. http://ora.ox.ac.uk/objects/uuid:6a2a12f6-4787-4398-81c0-fa5d6afe96f0.

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Deregulation of protein kinases is associated with many diseases making them important targets for therapeutic intervention. Kinases can switch between active and inactive conformations that can be targeted by type 1 or type 2 inhibitors respectively. One of the most relevant conformational switches is the ‘in’ and ‘out’ movement of the ATP/Mg2+ binding motif DFG. Factors modulating the conformational equilibria such as the residue environment of regulatory motifs remain poorly understood despite their importance for drug discovery. In this thesis, the first model system tested the hypothesis

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