Computer-Aided Drug Discovery for Uplevelling the Discovery of Novel Cyclic Peptide Therapeutics

Time: 1:30 pm
day: Conference Day 2


• Cyclic peptides are an emerging therapeutic modality and present unique challenges for Computer-Aided Drug Discovery

• This talk will highlight some of the informatics and structure-based CADD methods we are employing in our peptide discovery programs

• These include enhanced sampling MD based methods for macrocyclization of peptides, FEP+ to affinity rank analogs and SAR visualization