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Atomistic insight into chondroitin-6-sulfate glycosaminoglycan chain through quantum mechanics calculations and molecular dynamics simulation.
G. Cilpa
Marja T. Hyvönen
Artturi Koivuniemi
M.-L. Riekkola
Published in:
J. Comput. Chem. (2010)
Keyphrases
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molecular dynamics
quantum mechanics
molecular dynamics simulations
high performance computing
scientific data
protein folding
search engine
particle swarm optimisation
fluid flow
quantum probability
fine grained
decision theory
data generation