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A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons.
Oliwia M. Szklarczyk
Stephan J. Bachmann
Wilfred F. van Gunsteren
Published in:
J. Comput. Chem. (2014)
Keyphrases
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molecular dynamics
force field
molecular dynamics simulations
high performance computing
scientific data
fluid flow
protein folding
active contours
active contour model
fine grained
object boundaries
boundary conditions
edge detection
medical images
deformable models
gradient vector flow