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Simulating botulinum neurotoxin with constant pH molecular dynamics in Generalized Born implicit solvent.
Yongzhi Chen
Xin Chen
Yuefan Deng
Published in:
Comput. Phys. Commun. (2007)
Keyphrases
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molecular dynamics
scientific data
high performance computing
molecular dynamics simulations
protein folding
metadata
data collection
parallel computing
data generation
fluid flow