Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design. - Wanli You; Yu-ming M. Huang; Smitha Kizhake; Amarnath Natarajan; Chia-en A. Chang (PLoS Comput. Biol., 2016)

Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein. - Timothy Hasse; Esra Mantei; Rezvan Shahoei; Shristi Pawnikar; Jinan Wang; Yinglong Miao; Yu-ming M. Huang (PLoS Comput. Biol., 2024)