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Efficient Conformational Sampling of Collective Motions of Proteins with Principal Component Analysis-Based Parallel Cascade Selection Molecular Dynamics.
Takunori Yasuda
Yasuteru Shigeta
Ryuhei Harada
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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molecular dynamics
protein folding
principal component analysis
coarse grained
image sequences
protein sequences
molecular dynamics simulations
video sequences
building blocks
high performance computing