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Molecular modeling of proteins /

Kukol, Andreas.

Molecular modeling of proteins /

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Molecular modeling of proteins // Andreas Kukol [editor].
other author:	Kukol, Andreas.
Published:	Totowa, NJ :Humana Press, : c2008.,
Description:	xi, 390 p. :ill. ; : 25 cm.;
Subject:	Proteins - Structure -
ISBN:	9781588298645 (Cloth) :

Molecular modeling of proteins /
Molecular modeling of proteins /Andreas Kukol [editor]. - Totowa, NJ :Humana Press,c2008. - xi, 390 p. :ill. ;25 cm. - Methods in molecular biology,443.1064-3745 ;. - Methods in molecular biology (Clifton, N.J.) ;v. 377..

Includes bibliographical references and index.

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. Malolepsza -- 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.

ISBN: 9781588298645 (Cloth) :NT3362

LCCN: 2007942569Subjects--Topical Terms:

795534
Proteins
--Structure

LC Class. No.: QP551 / .M624 2008

Dewey Class. No.: 572/.633

Molecular modeling of proteins /
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020 $a 9781588298645 (Cloth) : $c NT3362
020 $a 1588298647 (Cloth)
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040 $a BTCTA $c BTCTA $d BAKER $d YDXCP $d CLU $d COU $d PIT $d AGL $d DLC $c NFU
050 0 0 $a QP551 $b .M624 2008
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245 0 0 $a Molecular modeling of proteins / $c Andreas Kukol [editor].
260 $a Totowa, NJ : $c c2008. $b Humana Press,
300 $a xi, 390 p. : $b ill. ; $c 25 cm.
490 1 $a Methods in molecular biology, $x 1064-3745 ; $v 443.
504 $a Includes bibliographical references and index.
505 0 $a 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. Malolepsza -- 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.
650 0 $a Proteins $x Structure $x Computer simulation. $3 795534
650 1 2 $a Proteins. $3 584006
650 2 2 $a Models, Molecular. $3 720673
650 2 2 $a Computer Simulation. $3 599654
700 1 $a Kukol, Andreas. $3 795533
830 0 $a Methods in molecular biology (Clifton, N.J.) ; $v v. 377. $3 720612 $3 770440