An edition of Molecular modeling of proteins
(2008)
Molecular modeling of proteins
by Andreas Kukol
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Book Details
Table of Contents
Molecular dynamics simulations / Erik R. Lindahl
Monte Carlo simulations / David J. Earl and Michael W. Deem
Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes / Jiali Gao ... [et al.]
Comparison of protein force fields for molecular dynamics simulations / Olgun Guvench and Alexander D. MacKerell, Jr.
Normal modes and essential dynamics / Steven Hayward and Bert L. de Groot
Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method / Hyung-June Woo
Free energy calculations applied to membrane proteins / Christophe Chipot
Molecular dynamics simulations of membrane proteins / Philip C. Biggin and Peter J. Bond
Membrane-associated proteins and peptides / Marc F. Lensink
Implicit membrane models for membrane protein simulation / Michael Feig
Comparative modeling of proteins / Gerald H. Lushington
Transmembrane protein models based on high-throughput molecular dynamics simulations with experimental constratints / Andrew J. Beevers and Andreas Kukol
Nuclear magnetic resonance-based modeling and refinement of protein three-dimensional structures and their complexes / Gloria Fuentes, Aalt D.J. van Dijk, and Alexandre M.J.J. Bonvin
Conformational changes in protein function / Haiguang Liu ... [et al.]
Protein folding and unfolding by all-atom molecular dynamics simulations / Hongxin Lei and Yong Duan
Modeling of protein misfolding in disease / Edyta B. Małolepsza
Identifying putative drug targets and potential drug leads : starting points for virtual screening and docking / David S. Wishart
Receptor flexibility for large-scale in silico ligand screens : chances and challenges / B. Fischer, H. Merlitz, and W. Wenzel
Molecular docking / Garrett M. Morris and Marguerita Lim-Wilby.
Edition Notes
Includes bibliographical references and index.
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