عنوان

Molecular modeling of proteins

(Number (ISBN

9781493914647 )hbk : acid-free paper(

Title Proper

Molecular modeling of proteins

First Statement of Responsibility

edited by Andreas Kukol, University of Hertfordshire, Hatfield, Hertfordshire, UK

Edition Statement

Second edition.

Name of Publisher, Distributor, etc.

Springer Science

Date of Publication, Distribution, etc.

c2015

Specific Material Designation and Extent of Item

x, 474 pages : illustrations )some color( ; 26 cm.

Series Title

Methods in molecular biology,1064-3745 ;1215

Series Title

Series: Methods in molecular biology )Clifton, N.J.( ;443.

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 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. 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

Proteins^aStructure--Computer simulation

Number

Class number

Classification Record Number

Book number

Kukol, Andreas

English Book