Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models-Reference-Cited by-同舟云学术

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

Published:2010-01-25 Issue:2 Volume:6 Page:459-466
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bjelkmar Pär¹,Larsson Per¹,Cuendet Michel A.¹,Hess Berk¹,Lindahl Erik¹

Affiliation:

1. Center for Biomembrane Research, Department of Biochemistry & Biophysics, Stockholm University, SE-106 91 Stockholm, Sweden, and Molecular Modeling Group, Swiss Institute of Bioinformatics, CH-1015 Lausanne, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900549r

Reference29 articles.

1. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

2. A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

3. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6

4. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

5. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

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