Molecular Modeling of Proteins
Molecular modeling has undergone a remarkable transformation in the last 20 years, as biomolecular simulation moves from the realm of specialists to the wider academic community. Molecular Modeling of Proteins provides thorough introductions and a compilation of step-by-step methods applicable to pr...
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| Format: | eBook |
| Language: | English |
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Totowa, NJ
Humana
2008, 2008
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| Edition: | 1st ed. 2008 |
| Series: | Methods in Molecular Biology
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| Subjects: | |
| Online Access: | |
| Collection: | Springer eBooks 2005- - Collection details see MPG.ReNa |
Table of Contents:
- Methodology
- Molecular Dynamics Simulations
- Monte Carlo Simulations
- Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes
- Comparison of Protein Force Fields for Molecular Dynamics Simulations
- Normal Modes and Essential Dynamics
- Free Energy Calculations
- Calculation of Absolute Protein–Ligand Binding Constants with the Molecular Dynamics Free Energy Perturbation Method
- Free Energy Calculations Applied to Membrane Proteins
- Molecular Modeling of Membrane Proteins
- Molecular Dynamics Simulations of Membrane Proteins
- Membrane-Associated Proteins and Peptides
- Implicit Membrane Models for Membrane Protein Simulation
- Protein Structure Determination
- Comparative Modeling of Proteins
- Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints
- Nuclear Magnetic Resonance-Based Modeling and Refinement of Protein Three-Dimensional Structures and Their Complexes
- Conformational Change
- Conformational Changes in Protein Function
- Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations
- Modeling of Protein Misfolding in Disease
- Applications to Drug Design
- Identifying Putative Drug Targets and Potential Drug Leads
- Receptor Flexibility for Large-Scale In Silico Ligand Screens
- Molecular Docking