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Screening using Flexible Ligand Binding Pockets: A Molecular Dynamics-based Approach.

Dakshanamurthy SivanesanRajendram V. RajnarayananJason DohertyNagarajan Pattabiraman
Published in: J. Comput. Aided Mol. Des. (2005)
Keyphrases
  • molecular dynamics
  • drug discovery
  • scientific data
  • molecular dynamics simulations
  • high performance computing
  • protein folding
  • computer vision
  • database
  • databases
  • high throughput