Force-Field-Dependent DNA Breathing Dynamics: A Case Study of Hoogsteen Base Pairing in A6-DNA. - Sharon Emily Stone; Dhiman Ray; Ioan Andricioaei (J. Chem. Inf. Model., 2022)

Kinetic View of Enzyme Catalysis from Enhanced Sampling QM/MM Simulations. - Dhiman Ray; Sudip Das; Umberto Raucci (J. Chem. Inf. Model., 2024)