عنوان

Molecular modeling of proteins. ]CD[

Standard Number

1066

Title Proper

Molecular modeling of proteins. ]CD[

Place of Publication, Distribution, etc.

Totowa, NJ

Name of Publisher, Distributor, etc.

Humana Press

Date of Publication, Distribution, etc.

c2008

Specific Material Designation and Extent of Item

xi, 390 p. : ill. ; 25 cm.

Series Title

Methods in molecular biology,4601-5473 ;344.

Text of Note

Includes bibliographical references and index

Text of Note

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. Ma olepsza -- 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

Entry Element

Structure Computer simulation ، Proteins

Entry Element

، Proteins

Entry Element

، Models, Molecular

Entry Element

، Computer Simulation

Class number

Relator Code

TI

Entry Element

Andreas Kukol ]editor[

AU saerdnA ,lokuK

SE

SE Methods in molecular biology )Clifton, N.J.( ;

Shelving Form of Title, Author, Author/Title

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