Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery. - Yuqi Zhang 003; Márton Vass; Da Shi; Esam Abualrous; Jennifer M. Chambers; Nikita Chopra; Christopher Higgs; Koushik Kasavajhala; Hubert Li; Prajwal Nandekar; Hideyuki Sato; Edward B. Miller; et al. (J. Chem. Inf. Model., 2023)

Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations. - Wei Chen; Di Cui; Steven V. Jerome; Mayako Michino; Eelke B. Lenselink; David J. Huggins; Alexandre Beautrait; Jeremie Vendome; Robert Abel; Richard A. Friesner; Lingle Wang (J. Chem. Inf. Model., 2023)

Enabling In-Silico Hit Discovery Workflows Targeting RNA with Small Molecules. - Nikita Chopra; Ara M. Abramyan; Zeineb Si Chaib; Wei Chen; Yeyue Xiong; Anna Bochicchio; David Rinaldo; Steven V. Jerome; Yuqi Zhang 003 (J. Chem. Inf. Model., 2025)