Molecular Modeling of Proteins

Bibliographic Details
Corporate Author: SpringerLink (Online service)
Other Authors: Kukol, Andreas. (Editor)
Format: eBook
Language:English
Published: Totowa, NJ : Humana Press : Imprint: Humana, 2008.
Edition:1st ed. 2008.
Series:Methods in Molecular Biology, 443
Subjects:
Online Access:https://doi.org/10.1007/978-1-59745-177-2
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.