BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
Streamlining Computational Fragment-Based Drug Discovery through Evolutionary Optimization Informed by Ligand-Based Virtual Prescreening
Rohan Chandraghatgi, Hai‐Feng Ji, GAIL L. ROSEN, Bahrad Ali Sokhansanj
This paper introduces a novel fragment-based drug discovery method that uses evolutionary optimization and ligand-based virtual prescreening to efficiently identify high-affinity ligands.
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