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FSATOOL 2.0: An integrated molecular dynamics simulation and trajectory data analysis program.
Zirui Shu
Mincong Wu
Jun Liao
Changjun Chen
Published in:
J. Comput. Chem. (2022)
Keyphrases
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molecular dynamics
data analysis
molecular dynamics simulations
scientific data
high performance computing
protein folding
data collection
data mining
fluid flow
machine learning
power consumption
mathematical models