-acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field.

Yang Zhong Sandeep Patel

Published in: J. Comput. Chem. (2013)

Keyphrases

molecular dynamics
force field
active contours
active contour model
deformable models
high performance computing
scientific data
information theory
gradient vector flow
molecular dynamics simulations
fluid flow
object boundaries
three dimensional
gradient field
data generation
energy function
data management