This folder contains data files from the genomic analysis, structural models and MD simulation trajectories. The manuscript related to this file is titled "A rigorous framework for detecting SARS-CoV-2 spike protein mutational ensemble from genomic and structural features" by Saman Fatihi, Surabhi Rathore, Ankit Pathak, Deepanshi Gahlot, Mitali Mukerji, Nidhi Jatana, Lipi Thukral.
A. Structural models of wild-type and eight mutant clusters
B. MD simulation data contsining structures derived at different time points of the simulation trajectories for wild and D614G mutant