Dissertations / Theses on the topic 'Ligand binding'
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Mikolajek, Halina. "Ligand binding to pentraxins." Thesis, University of Southampton, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.486591.
Full textKolstoe, Simon Erik. "Ligand binding to pentraxins." Thesis, University of Southampton, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.416900.
Full textRanganathan, Anirudh. "Protein – Ligand Binding: Estimation of Binding Free Energies." Thesis, KTH, Skolan för kemivetenskap (CHE), 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-147527.
Full textWhittingham, Jean Lesley. "Ligand binding in hexameric insulins." Thesis, University of York, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.385408.
Full textWade, R. C. "Ligand-macromolecule interactions." Thesis, University of Oxford, 1988. http://ora.ox.ac.uk/objects/uuid:576ce119-6a93-4eb0-a7e4-1f2513736dbd.
Full textKandala, Srikanth. "Diphosphine Ligand Substitution in H4Ru4(CO)12: X-ray Diffraction Structures and Reactivity Studies of the Diphosphine Substituted Cluster Products." Thesis, University of North Texas, 2006. https://digital.library.unt.edu/ark:/67531/metadc5410/.
Full textChobotova, Katya. "Ligand binding determinants of LIF receptor." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.244596.
Full textParker, Matthew W. "Molecular Mechanisms of Neuropilin-Ligand Binding." UKnowledge, 2014. http://uknowledge.uky.edu/biochem_etds/15.
Full textSleigh, Sara. "Ligand binding by an oligopeptide receptor." Thesis, University of York, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242157.
Full textNandigrami, Prithviraj. "Cooperative allosteric ligand binding in calmodulin." Kent State University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=kent1507302866723977.
Full textSchechner-Resom, Martina Gabriele. "Ligand binding and molecular flexibility : Studies on DNA gyrase B." Université Louis Pasteur (Strasbourg) (1971-2008), 2005. http://www.theses.fr/2005STR1A001.
Full textDNA gyrase is a vital bacterial enzyme necessary for the handling of the large DNA molecules in the living cell. Therefore DNA gyrase is an ideal target enzyme for anti-infectious compounds. In this work DNA gyrase has been studied by molecular modelling methods. A computational structure-based ligand design approach has been carried out on the N-terminal 24 kDa subdomain of DNA gyrase B (GHKL domain). To further examine the flexibility of two active site loops, molecular dynamics simulations have been carried out on the GHKL domain in different ligand binding conditions. In a final part, normal mode analysis has been carried out on the dimer of the 43 kDa domain of DNA gyrase B
McFail-Isom, Lori. "Effects of ligand binding, coordinate error and ion binding on nucleic acid structure and conformation." Diss., Georgia Institute of Technology, 1998. http://hdl.handle.net/1853/30735.
Full textPleshe, Elizabeth Lei. "Investigation of ligand binding Aquifex aeolicus TrmH." Diss., Connect to online resource, 2005. http://wwwlib.umi.com/cr/colorado/fullcit?p1427768.
Full textEngelhart, Aaron Edward. "Nucleic acid assembly, polymerization, and ligand binding." Diss., Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/45979.
Full textBourne, Pauline Claire-Louise. "Probing the ecdysteroid receptor ligand binding site." Thesis, University of Exeter, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.364422.
Full textEmsley, Paul. "Crystallographic studies of ligand binding to haemoglobin." Thesis, University of York, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.246030.
Full textVarela, Rial Alejandro 1993. "In silico modeling of protein-ligand binding." Doctoral thesis, TDX (Tesis Doctorals en Xarxa), 2022. http://hdl.handle.net/10803/673579.
Full textLa afinidad de un fármaco a su proteína diana es una de las propiedades clave de un fármaco. Actualmente, existen métodos experimentales para medir la afinidad, pero son muy costosos y relativamente lentos. Así, predecir esta propiedad con precisión empleando herramientas de software sería muy beneficioso para el descubrimiento de fármacos. En esta tesis se han desarrollado aplicaciones de software para modelar y predecir el modo de unión de ligando a proteína, para evaluar cómo de factible es tal predicción y para interpretar redes neuronales profundas entrenadas en complejos proteína-ligando.
Boas, F. Edward. "Physics-based design of protein-ligand binding /." May be available electronically:, 2008. http://proquest.umi.com/login?COPT=REJTPTU1MTUmSU5UPTAmVkVSPTI=&clientId=12498.
Full textVestergaard, Henrik Tang. "Diversity in competitive ligand-receptor interactions : electrophysiological studies of ligand-receptor interactions at native and recombinant GABAA receptors /." Cph. : Department of Pharmacology, The Danish University of Pharmaceutical Sciences, 2003. http://www.dfh.dk/phd/defences/henriktangvestergaard.htm.
Full textPetrescu, Anca Daniela. "Ligand binding proteins: roles in ligand transfer and activation of nuclear receptors." Diss., Texas A&M University, 2004. http://hdl.handle.net/1969.1/290.
Full textJones, Marc. "Folate binding protein : partial characterisation of bovine milk folate binding protein, includings its ligand binding /." [St. Lucia, Qld], 2004. http://www.library.uq.edu.au/pdfserve.php?image=thesisabs/absthe18263.pdf.
Full textLampinen, Milla. "AMPA receptor ligand-binding domain : site-directed mutagenesis study of ligand-receptor interactions." Helsinki : University of Helsinki, 2003. http://ethesis.helsinki.fi/julkaisut/mat/bioti/vk/lampinen/.
Full textSchmidtke, Peter. "Protein-ligand binding sites. Identification, characterization and interrelations." Doctoral thesis, Universitat de Barcelona, 2011. http://hdl.handle.net/10803/51340.
Full textBrackett, David Michael. "Ligand binding and catalysis in an RNA aptamer /." For electronic version search Digital dissertations database. Restricted to UC campuses. Access is free to UC campus dissertations, 2005. http://uclibs.org/PID/11984.
Full textKopanchuk, Sergei. "Regulation of ligand binding of melanocortin receptor subtypes /." Online version, 2006. http://dspace.utlib.ee/dspace/bitstream/10062/950/5/kopanchuk.pdf.
Full textCarlsson, 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.
Full textAccurate 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.
The thermodynamic integration technique is used to calculate pKa values for three aspartic acid residues in two different proteins. MD simulations are carried out in explicit and Generalized-Born continuum solvent. The calculated pKa values are in qualitative agreement with experiment in both cases. A combination of MD simulations and a continuum electrostatics method is applied to examine pKa shifts in wild-type and mutant epoxide hydrolase. The calculated pKa values support a model that can explain some of the pH dependent properties of this enzyme.
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.
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.
Kumar, Saroj. "Infrared spectroscopy : Method development and ligand binding studies." Licentiate thesis, Stockholms universitet, Institutionen för biokemi och biofysik, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-41023.
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Lee, Anna. "The effect of deuteration on receptor-ligand binding." Thesis, University of British Columbia, 2017. http://hdl.handle.net/2429/61309.
Full textScience, Faculty of
Physics and Astronomy, Department of
Graduate
Filfil, Rana. "Volumetric characterizations of protein denaturation and ligand binding." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape3/PQDD_0017/MQ54174.pdf.
Full textHoy, Julie Anne. "Structural characterization of ligand binding in hexacoordinate hemoglobins." [Ames, Iowa : Iowa State University], 2006.
Find full textBagdasar, Ovidiu. "Cell adhesion : stochastic receptor-ligand binding under force." Thesis, University of Nottingham, 2011. http://eprints.nottingham.ac.uk/12288/.
Full textDavies, John Richard. "Statistical methods for matching protein-ligand binding sites." Thesis, University of Leeds, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.515455.
Full textMa, Zhijie. "Thermodynamics of Metal Binding to Ligand-Modified PNA." Research Showcase @ CMU, 2011. http://repository.cmu.edu/dissertations/35.
Full textRidd, Thomas Ian. "Reactions and ligand binding properties of cytochrome P450." Thesis, University of Surrey, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.308553.
Full textQuintas, Pedro Oliveira. "Electron Transfer and Ligand Binding Properties of Cytochromes." Doctoral thesis, Universidade Nova de Lisboa. Instituto de Tecnologia Química e Biológica, 2013. http://hdl.handle.net/10362/12011.
Full textHaem proteins are one of the most versatile groups of proteins in nature. They are able to perform several functions, such as transport and storage of oxygen, electron transfer, sensing of small molecules, and catalysis. The nature of the haem, the presence or absence and the nature of the axial ligands to the iron atom, and the effect of the polypeptide chain of the protein on the environment of the haem all contribute to this versatility. The work presented in this thesis focuses on the mechanisms of electron transfer and the discrimination of small ligands by cytochromes containing haem c with axial histidines.(...)
Yu, Junru. "Ligand Binding and Catalysis in Selected Sirtuin Isozymes." Diss., North Dakota State University, 2016. http://hdl.handle.net/10365/25733.
Full textNIH (GM110367)
NSF (DMR1306154)
Yamamoto, Izumi. "Structure-function studies of GABA-C receptor ligands." Thesis, The University of Sydney, 2012. https://hdl.handle.net/2123/28927.
Full textMalaurie, Emilie. "Structural and ligand binding studies of EDEN-BP and CPEB1 RNA binding proteins." Thesis, University of Nottingham, 2011. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.546689.
Full textDuraj-Thatte, Anna. "Fluorescent GFP chromophores as potential ligands for various nuclear receptors." Diss., Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/44764.
Full textNguyen, Nhung Phuong. "Axial ligand mutant H229A /." unrestricted, 2007. http://etd.gsu.edu/theses/available/etd-08082008-134926/.
Full textTitle from file title page. Under the direction of Dabney White Dixon. Electronic text (88 p. : col. ill.) : digital, PDF file. Description based on contents viewed Sept. 30, 2008. Includes bibliographical references (p. 46-47).
Payne, Sarah Louise. "Structure function relationships and mechanisms of agonist action at the human Dâ†2â†(â†sâ†hâ†oâ†râ†tâ†) dopamine receptor." Thesis, University of Reading, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.270213.
Full textAskalan, Rand Abdulkadir. "The influence of pH on the Aâ†2 adenosine receptor." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321554.
Full textWei, Tiandi. "Homology Modeling of Toll-Like Receptor Ligand-Binding Domains." Diss., lmu, 2010. http://nbn-resolving.de/urn:nbn:de:bvb:19-115642.
Full textChiu, Roland K. "Molecular mechanisms regulating the ligand binding function of CD44." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape7/PQDD_0030/NQ38868.pdf.
Full textIvanisevic, Ljubica. "Neutrophin receptors: ligand-binding, activation sites and allosteric regulation." Thesis, McGill University, 2008. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=18758.
Full textLa famille de récepteurs de Trk tyrosine kinase et le récepteur p75NTR sont des récepteurs de neurotrophines. Le facteur de croissance nerveuse (NGF) intéragit avec le récepteur TrkA, le facteur neurotrophique dérivé du cerveau (BDNF) intéragit avec le récepteur TrkB et la neurotrophine-3 (NT-3) intéragit avec TrkC. Le domaine extracellulaire du récepteur Trk contient cinq sous-domaines: un motif riche en leucine (D2), deux motifs riches en cysteine (D1, D3) et des sous-domaines de type immunoglobuline Ig-C1(D4) et Ig-C2(D5). Le sous-domaine Trk D4 régule l'activation indépendante de ligand. Les sous-domaines TrkA-D5 et TrkB-D5 régulent la liaison de ligands endogènes ainsi que l'activation du récepteur Trk. Le récepteur p75NTR intéragit avec toutes les neurotrophines et régule l'affinité des ligands et les signaux issues de l'activation du récepteur Trk. Par ailleurs, nous avons démontré que le p75NTR affecte la liaison du ligand au récepteur Trk en changeant l'activation de l'utilisation des sous-domaines. Lorsque le recepteur de p75NTR est coexprimé, le NGF peut activer le récepteur TrkA via le sous-domaine cysteine-1 (D1) et BDNF peut activer TrkB via le motif riche en leucine (D2) ainsi que via le sous-domaine cysteine-2 (D3). Nous avons examiné la liaison d'un ligand hétérologue, NT-3 sur le récepteur TrkA afin d'étudier plus profondément les interactions entre les ligands et le récepteur TrkA. Ces interactions sont biologiquement pertinentes. Pour faire ceci, nous avons tout d'abord identifié les « points chauds » présents sur le récepteur TrkA qui servent des sites d'amarrage fonctionnels du ligand NT-3. Nous avons démontré que le sous domaine TrkA-D5 possède deux points chauds distincts, notamment un point chaud qui sert comme le site d'amarrage et d'activation du NGF et un point chaud qui sert comme le site d'amarrage et d'activation de la NT-3. Toutefois, ces deux sites d'amarrage se chevauchent partiellement. D
Jiang, Tao. "Characterisation of recombinant aryl hydrocarbon receptor ligand binding domain." Thesis, University of Nottingham, 2004. http://eprints.nottingham.ac.uk/10401/.
Full textWilkinson, Martin. "Structural dynamics and ligand binding in kynurenine-3-monooxygenase." Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/7965.
Full textHermansson, Anders. "Calculating Ligand-Protein Binding Energies from Molecular Dynamics Simulations." Thesis, KTH, Skolan för kemivetenskap (CHE), 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-170722.
Full textKeränen, Henrik. "Advances in Ligand Binding Predictions using Molecular Dynamics Simulations." Doctoral thesis, Uppsala universitet, Beräknings- och systembiologi, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-230777.
Full textMatejtschuk, Paul. "Structure and ligand-binding properties of abnormal human albumins." Thesis, University of Warwick, 1986. http://wrap.warwick.ac.uk/56204/.
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