Biomolecular Simulations : Methods and Protocols /

Bibliographic Details
Corporate Author: SpringerLink (Online service)
Other Authors: Bonomi, Massimiliano. (Editor), Camilloni, Carlo. (Editor)
Format: eBook
Language:English
Published: New York, NY : Springer New York : Imprint: Humana, 2019.
Edition:1st ed. 2019.
Series:Methods in Molecular Biology, 2022
Subjects:
Table of Contents:
  • Atomistic Force Fields for Proteins
  • Force Fields for Small Molecules
  • Improvement of RNA Simulations with Torsional Revisions of the AMBER Force Field
  • Quantum Chemical and QM/MM Models in Biochemistry
  • A Practical View of the Martini Force Field
  • Using SMOG 2 to Simulate Complex Biomolecular Assemblies
  • Replica Exchange Methods for Biomolecular Simulations
  • Metadynamics to Enhance Sampling in Biomolecular Simulations
  • Protein-Ligand Binding Free Energy Calculations with FEP+
  • Ligand Binging Calculations with Metadynamics
  • The Adaptive Path Collective Variable - A Versatile Biasing Approach to compute the Average Transition Path and Free Energy of Molecular Transitions
  • Google-Accelerated Biomolecular Simulations
  • A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics using Metainference
  • Inferring Structural Ensembles of Flexible and Dynamic Macromolecules using Bayesian, Maximum Entropy, and Minimal-Ensemble Refinement Methods
  • Modeling Biological Complexes using Integrative Modeling Platform
  • Co-Evolutionary Analysis of Protein Sequences for Molecular Modeling
  • Coarse Graining of a Giant Molecular System: The Chromatin Fiber
  • Analyzing Biomolecular Ensembles
  • Using Data-Reduction Techniques to Analyze Biomolecular Trajectories
  • Analysis Libraries for Molecular Trajectories: A Cross-Language Synopsis
  • Analyzing and Biasing Simulations with PLUMED.