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Understanding the basis of I50V-induced affinity decrease in HIV-1 protease via molecular dynamics simulations using polarized force field.

Rui DuanRaudah LazimDawei Zhang
Published in: J. Comput. Chem. (2015)
Keyphrases
  • force field
  • molecular dynamics simulations
  • deformable models
  • molecular dynamics
  • active contour model
  • active contours
  • hiv protease
  • gradient vector flow
  • pairwise
  • information theory
  • computer vision
  • data collection