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Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis.

Weiwei XueYihe BanHuanxiang LiuXiaojun Yao
Published in: J. Chem. Inf. Model. (2014)
Keyphrases
  • molecular dynamics
  • drug resistance
  • human immunodeficiency virus
  • network simulator
  • statistical analysis
  • data mining
  • fluid flow
  • hiv protease
  • molecular dynamics simulations