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Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations.

Sonia ZiadaJulien DiharceEric RaimbaudSamia Aci-SèchePierre DucrotPascal Bonnet
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • databases
  • active learning
  • response time