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Polarizable coarse-grained models for molecular dynamics simulation of liquid cyclohexane.
Oliwia M. Szklarczyk
Eirini Arvaniti
Wilfred F. van Gunsteren
Published in:
J. Comput. Chem. (2015)
Keyphrases
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molecular dynamics
coarse grained
fine grained
protein folding
mathematical models
molecular dynamics simulations
mathematical model
probabilistic model
artificial intelligence
database systems
graphical models
fault tolerant
high performance computing