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Hydration of beta-cyclodextrin: A molecular dynamics simulation study.
Roland G. Winkler
S. Fioravanti
G. Ciccotti
C. Margheritis
M. Villa
Published in:
J. Comput. Aided Mol. Des. (2000)
Keyphrases
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simulation study
molecular dynamics
high performance computing
molecular dynamics simulations
scientific data
monte carlo
protein folding
fluid flow
computer vision
massively parallel
digital libraries
dynamic programming
markov chain