VLifeSCOPE is Structure Based Compound Optimization, Prioritization & Evolution. It brings together two powerful approaches namely - comparative binding energy analysis based method for lead optimization and score based approach for activity prediction.
14. PLS Contribution of descriptors SCOPE identifies importance of interacting residues and required type of interaction ST = Steric HB = Hydrogen Bond
17. Pointers to enhance activity from SCOPE H-Bond Steric groups SCOPE identifies sites of lead optimization & provides clues for scaffold growth Ile219 Val49 Met258 Arg47 Lys120