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Rotamer decomposition and protein dynamics: Efficiently analyzing dihedral populations from molecular dynamics.
Hiroshi C. Watanabe
Marcus Elstner
Thomas Steinbrecher
Published in:
J. Comput. Chem. (2013)
Keyphrases
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molecular dynamics
molecular dynamics simulations
high performance computing
scientific data
protein folding
dynamical systems
fluid flow
databases
energy efficiency