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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 p. : ill. ; 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 ... [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 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 ... [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. |
| Series Title: | Methods in molecular biology (Clifton, N.J.), v. 443. |
| Responsibility: | Andreas Kukol, [editor]. |
| More information: |
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Publisher Synopsis
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 methods used for the molecular modeling of proteins." (Andrzej Kloczkowski and Robert L. Jernigan, Journal of the American Chemical Society, Vol. 130 (37), 2008) Read more...
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