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phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS.
Anton Jansen
Noora Aho
Gerrit Groenhof
Pavel Buslaev
Berk Hess
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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molecular dynamics simulations
database systems
data management
fine grained