MkVsites : A tool for creating GROMACS virtual sites parameters to increase performance in all‐atom molecular dynamics simulations
Author:
Affiliation:
1. Department of Pharmacy, Uppsala Biomedical Research CentreUppsala University Uppsala Sweden
2. Department of Chemistry – BMC, Uppsala Biomedical Research CentreUppsala University Uppsala Sweden
Funder
Seventh Framework Programme
Vetenskapsrådet
VINNOVA
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26198
Reference16 articles.
1. Systematic Validation of Protein Force Fields against Experimental Data
2. Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems
3. Lipid Models for United-Atom Molecular Dynamics Simulations of Proteins
4. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
5. Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
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