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Molecular modeling of Proteins
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| Format: | Printed Book |
| Published: |
Humana Press
2015
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| Edition: | 2nd edition |
| Series: | Methods in molecular biology (Clifton, N.J.), v. 1215.; Springer protocols (Series)
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| Subjects: |
Table of 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 [and others]
- 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 [and others]
- 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.