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Molecular modeling of proteins

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Cover of 'Molecular modeling of proteins'

Table of Contents

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    Book Overview
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    Chapter 1 Molecular Dynamics Simulations
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    Chapter 2 Monte Carlo Simulations
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    Chapter 3 Hybrid Quantum and Classical Methods for Computing Kinetic Isotope Effects of Chemical Reactions in Solutions and in Enzymes
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    Chapter 4 Comparison of Protein Force Fields for Molecular Dynamics Simulations
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    Chapter 5 Normal Modes and Essential Dynamics
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    Chapter 6 Calculation of Absolute Protein–Ligand Binding Constants with the Molecular Dynamics Free Energy Perturbation Method
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    Chapter 7 Free Energy Calculations Applied to Membrane Proteins
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    Chapter 8 Molecular dynamics simulations of membrane proteins.
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    Chapter 9 Membrane-Associated Proteins and Peptides
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    Chapter 10 Implicit Membrane Models for Membrane Protein Simulation
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    Chapter 11 Comparative Modeling of Proteins
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    Chapter 12 Transmembrane Protein Models Based on High-Throughput Molecular Dynamics Simulations with Experimental Constraints
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    Chapter 13 Nuclear Magnetic Resonance-Based Modeling and Refinement of Protein Three-Dimensional Structures and Their Complexes
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    Chapter 14 Conformational Changes in Protein Function
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    Chapter 15 Protein Folding and Unfolding by All-Atom Molecular Dynamics Simulations
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    Chapter 16 Modeling of Protein Misfolding in Disease
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    Chapter 17 Identifying Putative Drug Targets and Potential Drug Leads
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    Chapter 18 Receptor Flexibility for Large-Scale In Silico Ligand Screens
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    Chapter 19 Molecular Docking
Attention for Chapter 19: Molecular Docking
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