Dissertations / Theses on the topic 'Ligand to protein docking'
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Genheden, Samuel. "A fast protein-ligand docking method." Thesis, University of Skövde, School of Humanities and Informatics, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:his:diva-69.
Full textTotrov, Maxim. "Computational studies on protein-ligand docking." Thesis, Open University, 1999. http://oro.open.ac.uk/58005/.
Full textClaußen, Holger. "Effizientes Protein-Ligand-Docking mit flexiblen Proteinstrukturen /." Sankt Augustin : GMD-Forschungszentrum Informationstechnik, 2001. http://www.gbv.de/dms/bs/toc/33264023X.pdf.
Full textOledzki, Peter Richard. "Developing a protein-ligand docking algorithm : FlexLigDock." Thesis, University of Leeds, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.435818.
Full textDatta, Deepshikha Goddard William A. "Protein-ligand interactions : docking, design and protein conformational change /." Diss., Pasadena, Calif. : California Institute of Technology, 2003. http://resolver.caltech.edu/CaltechETD:etd-03242003-111426.
Full textFischer, Bernhard Karl. "High throughput simulation methods for protein ligand docking." Karlsruhe : Forschungszentrum Karlsruhe, 2007. http://d-nb.info/985070374/34.
Full textFischer, Bernhard Karl [Verfasser]. "High throughput simulation methods for protein ligand docking / Bernhard Karl Fischer." Karlsruhe : Forschungszentrum Karlsruhe, 2007. http://d-nb.info/985070374/34.
Full textWang, Qi. "Protein-ligand Docking Application and Comparison using Discovery Studio and AutoDock." Thesis, North Dakota State University, 2017. https://hdl.handle.net/10365/28365.
Full textAndersson, David. "Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions." Doctoral thesis, Umeå universitet, Kemiska institutionen, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-35736.
Full textBuonfiglio, Rosa <1985>. "Computational strategies to include protein flexibility in Ligand Docking and Virtual Screening." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2014. http://amsdottorato.unibo.it/6330/.
Full textTai, Hio Kuan. "Protein-ligand docking and virtual screening based on chaos-embedded particle swarm optimization algorithm." Thesis, University of Macau, 2018. http://umaclib3.umac.mo/record=b3948431.
Full textHuggins, David John. "Multiscale docking using evolutionary optimisation." Thesis, University of Oxford, 2005. http://ora.ox.ac.uk/objects/uuid:f166d5ec-5085-48b9-838a-626f754f73fb.
Full textMucs, Daniel. "Computational methods for prediction of protein-ligand interactions." Thesis, University of Manchester, 2012. https://www.research.manchester.ac.uk/portal/en/theses/computational-methods-for-prediction-of-proteinligand-interactions(33ad0b24-ef7b-4dff-8e28-597a2f34e079).html.
Full textTaylor, Richard David. "Novel simulation methods for flexible docking." Thesis, University of Southampton, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.368873.
Full textten, Brink Tim [Verfasser]. "Automated Structure Preparation and Its Influences on Protein-Ligand Docking and Virtual Screening / Tim ten Brink." Konstanz : Bibliothek der Universität Konstanz, 2011. http://d-nb.info/101745504X/34.
Full textCHHABRA, MONICA. "Modeling and Analysis of Ligand Docking to Norovirus Capsid Protein for the Computer-Aided Drug Design." University of Cincinnati / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1209001634.
Full textDayl, Sudad Amer. "Molecular modelling of ATP-gated P2X receptor ion channels." Thesis, University of Leicester, 2018. http://hdl.handle.net/2381/42761.
Full textEnekwa, C. Denise. "In silico design of novel binding ligands for biological targets." Thesis, Georgia Institute of Technology, 2010. http://hdl.handle.net/1853/41067.
Full textGonçalves, Reinaldo Bellini. "Development and validation of new methods of distribution of initial population on genetic algorithms for the problem of protein-ligand docking." Laboratório Nacional de Computação Científica, 2008. http://www.lncc.br/tdmc/tde_busca/arquivo.php?codArquivo=154.
Full textPatschull, Lafitte-Laplace Anathe Olivia Maria. "In silico ligand fitting/docking, computational analysis and biochemical/biophysical validation for protein-RNA recognition and for rational drug design in diseases." Thesis, Birkbeck (University of London), 2014. http://bbktheses.da.ulcc.ac.uk/84/.
Full textPavlovicz, Ryan Elliott. "Investigation of Protein/Ligand Interactions Relating Structural Dynamics to Function: Combined Computational and Experimental Approaches." The Ohio State University, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=osu1397220613.
Full textPlanesas, Galvez Jesús M. "Estudio y cribado virtual de compuestos químicos antivirales (VIH). Estudio de la modulación alostérica de agonistas y antagonistas del receptor celular CXCR4." Doctoral thesis, Universitat Ramon Llull, 2015. http://hdl.handle.net/10803/312147.
Full textOBAIDULLAH, AHMAD J. "USING HYDROPATHIC MOLECULAR MODELING TOOLS TO ENHANCE UNDERSTANDING OF PROTEIN-LIGAND INTERACTIONS IN BIOLOGICAL SYSTEMS." VCU Scholars Compass, 2017. https://scholarscompass.vcu.edu/etd/5156.
Full textGhiasi, Zahra. "Development of a Computational Mechanism to Generate Molecules with Drug-likeCharacteristics." Ohio University / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou162861276157897.
Full textAlonso, Hernan, and hernan alonso@anu edu au. "Computer Modelling and Simulations of Enzymes and their Mechanisms." The Australian National University. The John Curtin School of Medical Research, 2006. http://thesis.anu.edu.au./public/adt-ANU20061212.161155.
Full textAlves, Ariane Ferreira Nunes. "Um método computacional para estimar afinidades entre proteínas flexíveis e pequenos ligantes." Universidade de São Paulo, 2013. http://www.teses.usp.br/teses/disponiveis/46/46131/tde-08052013-144801/.
Full textKumari, Vandana. "Structure-Based Computer Aided Drug Design and Analysis for Different Disease Targets." The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1311612599.
Full textBedi, Shimpi. "Identification of Novel Ligands and Structural Requirements for Heterodimerization of the Liver X Receptor Alpha." Wright State University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=wright1495630797912988.
Full textFolly, da Silva Constantino Laura. "An effective layered workflow of virtual screening for identification of active ligands of challenging protein targets." Thesis, University of Iowa, 2017. https://ir.uiowa.edu/etd/5754.
Full textBivall, Petter. "Touching the Essence of Life : Haptic Virtual Proteins for Learning." Doctoral thesis, Linköpings universitet, Medie- och Informationsteknik, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-58994.
Full textCabeza, de Vaca López Israel. "Mapping biophysics through enhanced Monte Carlo techniques." Doctoral thesis, Universitat Politècnica de Catalunya, 2015. http://hdl.handle.net/10803/334172.
Full textOjelabi, Ogooluwa A. "Small Molecule Modulation of GLUT1-Mediated Glucose Transport." eScholarship@UMMS, 2017. https://escholarship.umassmed.edu/gsbs_diss/950.
Full textKhristova, Tetiana. "Computer-aided design of novel antithrombotic agents." Phd thesis, Université de Strasbourg, 2013. http://tel.archives-ouvertes.fr/tel-01018545.
Full textZöllner, Frank G. "Enhancing protein-protein docking by new approaches to protein flexibility and scoring of docking hypotheses." [S.l. : s.n.], 2004. http://deposit.ddb.de/cgi-bin/dokserv?idn=972854142.
Full textWang, Chu. "Improved conformational sampling for protein-protein docking /." Thesis, Connect to this title online; UW restricted, 2007. http://hdl.handle.net/1773/9194.
Full textMoont, Gidon. "Computational modelling of protein/protein and protein/DNA docking." Thesis, University College London (University of London), 2005. http://discovery.ucl.ac.uk/1445703/.
Full textVasseur, Romain. "Développements HPC pour une nouvelle méthode de docking inverse : applications aux protéines matricielles." Thesis, Reims, 2015. http://www.theses.fr/2015REIMS036.
Full textLivoti, Elsa Livoti. "Experimentally validated computational docking to characterize protein-protein interactions." Thesis, University of Kent, 2017. https://kar.kent.ac.uk/67450/.
Full textTunbridge, Ian William. "Graphics processing unit accelerated coarse-grained protein-protein docking." Doctoral thesis, University of Cape Town, 2011. http://hdl.handle.net/11427/11670.
Full textGrimm, Vera. "Untersuchung eines wissensbasierten Potentials zur Bewertung von Protein-Protein-Docking-Studien." [S.l. : s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=967176506.
Full textHyvönen, Martin. "Protein-Protein Docking Using Starting Points Based On Structural Homology." Thesis, Linköpings universitet, Bioinformatik, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-122016.
Full textHuang, Bingding. "Improving protein docking with binding site prediction." Doctoral thesis, [S.l. : s.n.], 2008. http://nbn-resolving.de/urn:nbn:de:bsz:14-ds-1216305428189-09951.
Full textKoch, Kerstin. "Statistical analysis of amino acid side chain flexibility for 1:n protein protein docking." [S.l. : s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=968919413.
Full textLantz, Mikael. "A targeted evaluation of OpenEye’s methods for virtual ligand screens and docking." Thesis, University of Skövde, School of Humanities and Informatics, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:his:diva-959.
Full textSajjadi, Sajdeh [Verfasser]. "Step by step in fast protein-protein docking algorithms / Sajdeh Sajjadi." Lübeck : Zentrale Hochschulbibliothek Lübeck, 2014. http://d-nb.info/1060276887/34.
Full textFlöck, Dagmar. "Protein-protein docking and Brownian dynamics simulation of electron transfer proteins." [S.l. : s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=969418736.
Full textRörbrink, Malin. "Improving detection of promising unrefined protein docking complexes." Thesis, Linköpings universitet, Bioinformatik, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-133633.
Full textJiménez, García Brian. "Development and optimization of high-performance computational tools for protein-protein docking." Doctoral thesis, Universitat de Barcelona, 2016. http://hdl.handle.net/10803/398790.
Full textBarradas, Bautista Didier. "Protein-protein docking for interactomic studies and its aplication to personalized medicine." Doctoral thesis, Universitat de Barcelona, 2017. http://hdl.handle.net/10803/401708.
Full textMandell, Jeffrey G. "Protein-protein interactions studied by hydrogen-deuterium exchange and computer-aided docking /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2000. http://wwwlib.umi.com/cr/ucsd/fullcit?p9970664.
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