Molecular modeling of proteins
- Title
- Molecular modeling of proteins / Andreas Kukol [editor].
- Published by
- Totowa, NJ : Humana Press, [2008], ©2008.
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| Status | Format | Access | Call number | Item location |
|---|---|---|---|---|
| Status | FormatText | AccessRequest in advance | Call numberQH506 .M56 v.443 | Item locationOff-site |
Details
- Additional authors
- Description
- xi, 390 pages : illustrations; 25 cm.
- Series statement
- Methods in molecular biology, 1064-3745 ; 443
- Uniform title
- Methods in molecular biology (Clifton, N.J.) ; v. 443.
- Subject
- Contents
- Pt. I. Methodology -- 1. Molecular Dynamics Simulations / Erik R. Lindahl -- 2. Monte Carlo Simulations / David J. Earl and Michael W. Deem -- 3. Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes / Jiali Gao, Dan T. Major, Yao Fan, Yen-lin Lin, Shuhua Ma and Kin-Yiu Wong -- 4. Comparison of Protein Force Fields for Molecular Dynamics Simulations / Olgun Guvench and Alexander D. MacKerell, Jr. -- 5. Normal Modes and Essential Dynamics / Steven Hayward and Bert L. de Groot -- Pt. II. Free Energy Calculations -- 6. Calculation of Absolute Protein-Ligand Binding Constants with the Molecular Dynamics Free Energy Perturbation Method / Hyung-June Woo -- 7. Free Energy Calculations Applied to Membrane Proteins / Christophe Chipot -- Pt. III. Molecular Modeling of Membrane Proteins -- 8. Molecular Dynamics Simulations of Membrane Proteins / Philip C. Biggin and Peter J. Bond -- 9. Membrane-Associated Proteins and Peptides / Marc F. Lensink -- 10. Implicit Membrane Models for Membrane Protein Simulation / Michael Feig -- Pt. IV. Protein Structure Determination -- 11. Comparative Modeling of Proteins / Gerald H. Lushington -- 12. Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints / Andrew J. Beevers and Andreas Kukol -- 13. 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 -- Pt. V. Conformational Change -- 14. Conformational Changes in Protein Function / Haiguang Liu, Shubhra Ghosh Dastidar, Hongxing Lei, Wei Zhang, Matthew C. Lee and Yong Duan -- 15. Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations / Hongxing Lei and Yong Duan -- 16. Modeling of Protein Misfolding in Disease / Edyta B. Malolepsza -- Pt. VI. Applications to Drug Design -- 17. Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking / David S. Wishart -- 18. Receptor Flexibility for Large-Scale In Silico Ligand Screens: Chances and Challenges / B. Fischer, H. Merlitz and W. Wenzel -- 19. Molecular Docking / Garrett M. Morris and Marguerita Lim-Wilby.
- Owning institution
- Columbia University Libraries
- Bibliography (note)
- Includes bibliographical references and index.