Molecular modeling of proteins
By: edited by Andreas Kukol, University of Hertfordshire, Hatfield, Hertfordshire, UK
Edition: Second edition.
Series: Methods in molecular biology -- 1215; Methods in molecular biology (Clifton, N.J.) -- 443.
Publisher: Humana Press
Published: 2015
Place of publication: Totowa, NJ
Language: eng
Number of pages: 474
ISBN-13: 9781493914647; 9781493914654
Subjects: Computer simulation; Proteins; Structure
Table of contents: title: Molecular dynamics simulations / Erik R. Lindahl; title: Monte Carlo simulations / David J. Earl and Michael W. Deem; title: Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes / Jiali Gao ... [et al.]; title: Comparison of protein force fields for molecular dynamics simulations / Olgun Guvench and Alexander D. MacKerell, Jr.; title: Normal modes and essential dynamics / Steven Hayward and Bert L. de Groot; title: Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method / Hyung-June Woo; title: Free energy calculations applied to membrane proteins / Christophe Chipot; title: Molecular dynamics simulations of membrane proteins / Philip C. Biggin and Peter J. Bond; title: Membrane-associated proteins and peptides / Marc F. Lensink; title: Implicit membrane models for membrane protein simulation / Michael Feig; title: Comparative modeling of proteins / Gerald H. Lushington; title: Transmembrane protein models based on high-throughput molecular dynamics simulations with experimental constratints / Andrew J. Beevers and Andreas Kukol; title: 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; title: Conformational changes in protein function / Haiguang Liu ... [et al.]; title: Protein folding and unfolding by all-atom molecular dynamics simulations / Hongxin Lei and Yong Duan; title: Modeling of protein misfolding in disease / Edyta B. Małolepsza; title: Identifying putative drug targets and potential drug leads : starting points for virtual screening and docking / David S. Wishart; title: Receptor flexibility for large-scale in silico ligand screens : chances and challenges / B. Fischer, H. Merlitz, and W. Wenzel; title: Molecular docking / Garrett M. Morris and Marguerita Lim-Wilby.