-
How fast-folding proteins fold
Molecular Dynamics (MD) simulation datasets of the four folding proteins for analysis were generated by Lindorff-Larsen et al. -
Automatic Feature Selection in Markov State Models Using Genetic Algorithm
Molecular Dynamics (MD) simulation datasets of the four folding proteins for analysis were generated by Lindorff-Larsen et al. -
Molecular Dynamics Simulation Dataset
Molecular Dynamics (MD) simulation datasets of the four folding proteins for analysis were generated by Lindorff-Larsen et al. -
Cyclic Peptide Ligands for DENV Envelope Protein
The dataset used for molecular docking and molecular dynamics simulation to design cyclic peptide ligands as fusion inhibitors of DENV envelope protein. -
3BPA MD17 Dataset
The dataset is used for testing the proposed TopNets architecture on molecular dynamics simulation tasks.
