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Title:	Molecular Dynamics Explorations of Active Site Structure in Designed and Evolved Enzymes
Source:	Accounts of Chemical Research [0001-4842] Sílvia Osuna, Gonzalo yr:2015

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description	1.	Rueda, M. "A consensus view of protein dynamics." Proceedings of the National Academy of Sciences of the United States of America 104.3 (2007): 796-801.
description	2.	CONNOLLY, M L L. "SOLVENT-ACCESSIBLE SURFACES OF PROTEINS AND NUCLEIC-ACIDS." Science 221.4612 (1983): 709-713.
description	3.	Kalyaanamoorthy, S. "Modelling and enhanced molecular dynamics to steer structure-based drug discovery." Progress in biophysics and molecular biology 114.3 (2013): 123-136.
description	4.	Smith, Adam J. "Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins." Journal of medicinal chemistry 52.2 (2009): 225-233.
description	5.	MacKerell, A. "Molecular dynamics simulations of nucleic acid-protein complexes." Current opinion in structural biology 18.2 (2008): 194-199.
description	6.	Connolly, Michael L. "Analytical molecular surface calculation." Journal of applied crystallography 16.5 (1983): 548-558.
description	7.	CONNOLLY, M. "COMPUTATION OF MOLECULAR VOLUME." Journal of the American Chemical Society 107.5 (1985): 1118-1124.
description	8.	Norberg, J. "Advances in biomolecular simulations: methodology and recent applications." Quarterly reviews of biophysics 36.3 (2003): 257-306.
description	9.	Singh, J. "The resurgence of covalent drugs." Nature reviews. Drug discovery 10.4 (2011): 307-317.
description	10.	Ingólfsson, Helgi I. "Lipid Organization of the Plasma Membrane." Journal of the American Chemical Society 136.41 (2014): 14554-9.
description	11.	Takada, S. "Coarse-grained molecular simulations of large biomolecules." Current opinion in structural biology 22.2 (2012): 130-137.
description	12.	Emperador, A. "Exploring the suitability of coarse-grained techniques for the representation of protein dynamics." Biophysical Journal 95.5 (2008): 2127-2138.
description	13.	Hess, B. "Hydration thermodynamic properties of amino acid analogues: A systematic comparison of biomolecular force fields and water models." The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical 110.35 (2006): 17616-17626.
description	14.	Stocker, U. "Molecular dynamics simulation of hen egg white lysozyme: A test of the GROMOS96 force field against nuclear magnetic resonance data." Proteins 40.1 (2000): 145-153.
description	15.	Mackerell, A. "Empirical force fields for biological macromolecules: Overview and issues." Journal of computational chemistry 25.13 (2004): 1584-1604.
description	16.	Rastelli, G. "Advances and applications of binding affinity prediction methods in drug discovery." Biotechnology advances 30.1 (2012): 244-250.
description	17.	Bargie, M. "C-language molecular dynamics program for the simulation of Lennard-Jones particles." Computer physics communications 64.1 (1991): 193-205.
description	18.	Sarikaya, M. "Genetically engineered gold-binding polypeptides: structure prediction and molecular dynamics." Journal of biomaterials science. Polymer edition 13.7 (2002): 747-757.
description	19.	Duggan, M. "Covalent Modifiers: An Orthogonal Approach to Drug Design." Journal of medicinal chemistry 52.5 (2009): 1231-1246.
description	20.	Kormos, B. "Affinity and specificity of protein U1A-RNA complex formation based on an additive component free energy model." Journal of molecular biology 371.5 (2007): 1405-1419.