BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
Evaluating Molecular Docking Programs for RNA-Targeted Ligand Screening: Influence of Binding Modes and Ligand Types
Kai‐Chen Wang, Louis DeFalco, Chaitanya Kumar Jaladanki…·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.