Ranking Reversible Covalent Drugs: From Free Energy Perturbation to Fragment Docking. - Han Zhang 028; Wenjuan Jiang; Payal Chatterjee; Yun Lyna Luo (J. Chem. Inf. Model., 2019)

CHARMM-GUI LBS Finder & Refiner for Ligand Binding Site Prediction and Refinement. - Hugo Guterres; Sang-Jun Park; Han Zhang 028; Wonpil Im (J. Chem. Inf. Model., 2021)

CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER. - Han Zhang 028; Seonghoon Kim; Timothy J. Giese; Tai-Sung Lee; Jumin Lee; Darrin M. York; Wonpil Im (J. Chem. Inf. Model., 2021)

Practical Guidance for Consensus Scoring and Force Field Selection in Protein-Ligand Binding Free Energy Simulations. - Han Zhang 028; Seonghoon Kim; Wonpil Im (J. Chem. Inf. Model., 2022)

Ligand Binding Affinity Prediction for Membrane Proteins with Alchemical Free Energy Calculation Methods. - Han Zhang 028; Wonpil Im (J. Chem. Inf. Model., 2024)