Journal Publications

Predicting residue cooperativity during protein folding: A combined, molecular dynamics and unsupervised learning approach. Praveen Ranganath Prabhakar, Dhiman Ray and Ioan Andricioaei.  The Journal of Chemical Physics (2023)

Discriminant analysis optimizes progress coordinate in weighted ensemble simulations of rare event kinetics. Praveen Ranganath Prabhakar, Dhiman Ray and Ioan Andricioaei.  The Journal of Chemical Physics (2025)

Insights into Dermal Permeation of Skin Oil Oxidation Products from Enhanced Sampling Molecular Dynamics Simulation. Rinto Thomas, Praveen Ranganath Prabhakar, Douglas J. Tobias and Michael von Domaros.  The Journal of Physical Chemistry B (2025)