Introduction of steered molecular dynamics into UNRES coarse-grained simulations package.

Adam K. Sieradzan Rafal Jakubowski

Published in: J. Comput. Chem. (2017)

Keyphrases

molecular dynamics
coarse grained
protein folding
fine grained
molecular dynamics simulations
scientific data
high performance computing
high level
protein sequences
access control
massively parallel
graphical models
shared memory
machine learning
artificial intelligence