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Why multiple scoring functions can improve docking performance - Testing hypotheses for rescoring success.

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Why multiple scoring functions can improve docking performance Testing hypotheses for rescoring success Noel O’Boyle , John Liebeschuetz, Jason Cole CCDC
Rescoring Docking with Scoring Function A Poses and associated scores Same poses but with new scores Rescoring with Scoring Function B Protein structure Molecular library Docking
How can rescoring improve virtual screening results? ,[object Object],[object Object],[object Object]
How can rescoring improve virtual screening results? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
How can rescoring improve virtual screening results? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Why multiple scoring functions can improve docking performance Testing hypotheses for rescoring success Noel O’Boyle , John Liebeschuetz, Jason Cole CCDC

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Why multiple scoring functions can improve docking performance - Testing hypotheses for rescoring success.

  • 1. Why multiple scoring functions can improve docking performance Testing hypotheses for rescoring success Noel O’Boyle , John Liebeschuetz, Jason Cole CCDC
  • 2. Rescoring Docking with Scoring Function A Poses and associated scores Same poses but with new scores Rescoring with Scoring Function B Protein structure Molecular library Docking
  • 3.
  • 4.
  • 5.
  • 6. Why multiple scoring functions can improve docking performance Testing hypotheses for rescoring success Noel O’Boyle , John Liebeschuetz, Jason Cole CCDC