Evaluating Molecular Docking Programs for RNA-Targeted Ligand Screening: Influence of Binding Modes and Ligand Types
Kai‐Chen Wang, Louis DeFalco, Chaitanya Kumar Jaladanki, Roland G. Huber, Christina L. L. Chai, Hao Fan
This study evaluates three docking programs for RNA-ligand screening, finding similar overall performance but differences across RNA classes and chemotypes, suggesting tailored scoring strategies could improve virtual screening.
Journal of Chemical Information and Modeling · May 12, 2026Peer-reviewedBioinformatics