Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study. - Syed Tarique Moin; Thomas S. Hofer; Bernhard R. Randolf; Bernd M. Rode (J. Comput. Chem., 2011)

Dynamic changes in the secondary structure of ECE-1 and XCE account for their different substrate specificities. - Zaheer-ul-Haq; Sadaf Iqbal; Syed Tarique Moin (BMC Bioinform., 2012)

Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites. - Eunice Cho; Margarida Rosa; Ruhi Anjum; Saman Mehmood; Mariya Soban; Moniza Mujtaba; Khair Bux; Syed Tarique Moin; Mohammad Tanweer; Sarath Dantu; Alessandro Pandini; Junqi Yin; et al. (J. Chem. Inf. Model., 2021)

Attempting Well-Tempered Funnel Metadynamics Simulations for the Evaluation of the Binding Kinetics of Methionine Aminopeptidase-II Inhibitors. - Rubina; Syed Tarique Moin (J. Chem. Inf. Model., 2023)

Revealing New Insights into the Dynamics of Human Aromatase Interacting with Cytochrome P450 Reductase in a Realistic Membrane Environment. - Sana Manzoor; Thomas S. Hofer; Syed Tarique Moin (J. Chem. Inf. Model., 2025)