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Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments.
Renata De Paris
Christian Vahl Quevedo
Duncan Dubugras A. Ruiz
Osmar Norberto de Souza
Rodrigo C. Barros
Published in:
Comput. Intell. Neurosci. (2015)
Keyphrases
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molecular dynamics
scientific data
molecular dynamics simulations
protein folding
computer vision
management system
high performance computing
fluid flow