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AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina.

Mathew R. KoebelGrant SchmadekeRichard G. PosnerSuman Sirimulla
Published in: J. Cheminformatics (2016)
Keyphrases
  • scoring function
  • structure learning
  • scoring functions
  • machine learning
  • information retrieval
  • least squares
  • ranking functions
  • text classification