Binding affinity estimation from restrained umbrella sampling simulations. - Vivek Govind Kumar; Adithya Polasa; Shilpi Agrawal; Thallapuranam K. Suresh Kumar; Mahmoud Moradi (Nat. Comput. Sci., 2023)

cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational Approach. - Mitchell Benton; Mercede Furr; Vivek Govind Kumar; Adithya Polasa; Feng Gao; Colin David Heyes; Thallapuranam K. Suresh Kumar; Mahmoud Moradi (J. Chem. Inf. Model., 2023)