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The multiple roles of computational chemistry in fragment-based drug design.

Richard LawOliver BarkerJohn J. BarkerThomas HesterkampRobert GodemannOle AndersenTara FryattSteve CourtneyDave HallettMark Whittaker
Published in: J. Comput. Aided Mol. Des. (2009)
Keyphrases
  • drug design
  • computational chemistry
  • protein protein interactions
  • protein structure prediction
  • machine learning
  • data analysis
  • end to end