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

Roy González-AlemánDaniel Platero-RochartAlejandro Rodríguez-SerradetErix W Hernández-RodríguezJulio CaballeroFabrice LeclercLuis Montero-Cabrera
Published in: Bioinformatics (Oxford, England) (2022)
Supplementary data are available at Bioinformatics online.
Keyphrases
  • molecular dynamics
  • density functional theory
  • electronic health record
  • social media
  • health information
  • big data
  • single cell
  • rna seq
  • healthcare
  • machine learning
  • data analysis