Unfolding and Refolding Rips Dataset of the mechanical unfolding of ARC-L1-ARC protein. Paper Title: The Energy Cost of Polypeptide Knot Formation and its Folding Consequences
Molecular dynamics trajectories of protein folding are deposited for educational purposes. Currently, the following trajectories are available: Chignolin (five independent NVT simulations up to 1.5 mi
The dataset aims to (near-)completely describe potential energy surfaces of dipeptides at the density functional theory (DFT) level. Knowledge of this energy surface is important, for example, for sol
