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Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC.

Meekyum Olivia KimSara E. NicholsYi WangJames Andrew McCammon
Published in: J. Comput. Aided Mol. Des. (2013)
Keyphrases
  • virtual screening
  • chemical structures
  • drug discovery
  • similarity searching
  • scoring function
  • nearest neighbor