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MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics.

Roy González-AlemánDaniel Platero-RochartAlejandro Rodríguez-SerradetErix Wiliam Hernández-RodríguezJulio CaballeroFabrice LeclercLuis Alberto Montero-Cabrera
Published in: Bioinform. (2022)
Keyphrases
  • molecular dynamics
  • high performance computing
  • molecular dynamics simulations
  • databases
  • scientific data
  • data processing