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γ-Glutamylcysteine Synthetase Using Structure-Based Virtual Screening, Docking, Molecular Dynamics Simulation, and in Vitro Studies.

Pragati AgnihotriArjun K. MishraShikha MishraVijay Kumar SirohiAmogh A. SahasrabuddheJ. Venkatesh Pratap
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • protein folding
  • virtual screening
  • drug discovery
  • fluid flow
  • machine learning
  • active learning
  • software engineering
  • scientific data