Towards effective consensus scoring in structure-based virtual screening

HIGHLIGHTS

• who: Do Nhat Phuong from the Department of Mathematics, College of Engineering and Physical Sciences, Aston University, Birmingham , ET, UK have published the paper: Towards Effective Consensus Scoring in Structure-Based Virtual Screening, in the Journal: (JOURNAL)
• what: This study proposes four universality classes of novel consensus scoring (CS) algorithms that combine docking scores derived from ten docking programs (ADFR DOCK Gemdock Ledock PLANTS PSOVina QuickVina2 Smina Autodock Vina and VinaXB) using decoys from the DUD-E repository (http://u200bdude.u200bdockiu200bng.u200borg/) against 29 MRSA-oriented targets to create a general VS formulation that can . . .
  

   

  

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