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Molecular modeling of proteins

Author: Andreas Kukol
Publisher: Totowa, NJ : Humana Press, ©2008.
Series: Methods in molecular biology (Clifton, N.J.), v. 443.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

Molecular modeling has undergone a remarkable transformation in the last 20 years. This book provides thorough introductions and a compilation of step-by-step methods applicable to problems faced by  Read more...

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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Andreas Kukol
ISBN: 9781588298645 1588298647 1617378127 9781617378126
OCLC Number: 172979419
Description: xi, 390 pages : illustrations ; 25 cm.
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 [and others] --
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 constraints / 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 [and others] --
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.
Series Title: Methods in molecular biology (Clifton, N.J.), v. 443.
Responsibility: Andreas Kukol, [editor].
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From the reviews:"This book covers many different aspects of protein modeling and is just one volume in an extremely large series ... . might be useful as an overview of the various techniques and Read more...

 
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