Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach.
Chen YZ, Ung CY, J Mol Graph Model, 2001 - link

Can an optimization/scoring procedure in ligand-protein docking be employed to probe drug-resistant mutations in proteins?
Chen YZ, Gu XL, Cao ZW, J Mol Graph Model, 2001 - link

Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule.
Chen YZ, Zhi DG, Proteins, 2001 May 1 - link