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Atomistic detailed free-energy landscape of intrinsically disordered protein studied by multi-scale divide-and-conquer molecular dynamics simulation.
Hiromitsu Shimoyama
Yasushige Yonezawa
Published in:
J. Comput. Chem. (2021)
Keyphrases
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molecular dynamics
molecular dynamics simulations
energy landscape
high performance computing
protein folding
scientific data
fluid flow
amino acids
database
numerical simulations
genetic algorithm
co occurrence
data management
protein sequences
protein structure prediction