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

Zenodo2022-03-13 更新40

Trajectories and other input/output files of Molecular Dynamics Simulations of DPPS lipidic bilayers with salted water (0.25M NaCl) and hydration Number=12

脂质双分子层

分子动力学轨迹

Trajectories and other input/output files of Molecular Dynamics Simulations of DPPS lipidic bilayers with salted water (0.25M NaCl) and hydration Number=12 Force Field = CHARMM36 and mTIP3P Composi

Zenodo2025-09-12 更新20

Dengue MD files 2021

登革热病毒模拟

分子动力学轨迹

This dataset contains NETCDF files with trajectories as well as coordinates and topologies to use the files for visualization and analysis.

Mendeley Data2024-01-31 更新60

PDB: 5X8M, Durvalumab in complex with Programmed death-ligand 1 (PD-L1) , random seed 3 (310K, 37°C, 500 ns): RMSD, SASA, RMSF, Rg, H-bonds

抗体-抗原相互作用

分子动力学轨迹

PDB: 5X8M, Durvalumab in complex with Programmed death-ligand 1 (PD-L1) , random seed 3 (310K, 37°C, 500 ns): RMSD, SASA, RMSF, Rg, H-bonds

NIAID Data Ecosystem30