MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4Zn. - Mackenzie Taylor; Junming Ho (J. Comput. Aided Mol. Des., 2023)

The Effects of Conformational Sampling and QM Region Size in QM/MM Simulations: An Adaptive QM/MM Study With Model Systems. - Holden Paz; Silvan Beck; Richmond Lee; Junming Ho; Haibo Yu 003 (J. Comput. Chem., 2025)

Fatty Alcohol Membrane Model for Quantifying and Predicting Amphiphilicity. - Nur Afiqah Ahmad; Junming Ho (J. Chem. Inf. Model., 2025)