官方服务：
资源简介：
Trajectories of ww domain
应用场景：
创建时间：
2020-04-23
相关数据集
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
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
MD simulation trajectory and related files for POPC bilayer (GAFFlipid, Gromacs 4.5)
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, GAFFlipid force field (http://dx.doi.org/10.1039/C2SM26007G), 30ns, T=303K, 126 POPC molecules, 3948 water molecules. This data is ran
Zenodo2021-11-29 更新10
Molecular dynamics trajectories of protein folding
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
The Arch from the Stones: Understanding Protein Folding Energy Landscapes via Bio-inspired Collective Variables
Reference unbiased molecular dynamics trajectories of the double mutant Chignolin CLN025 and the TC10b K8A single-point mutant TRP-Cage. For Chignolin, we present 3 independent unbiased trajectories
Zenodo2025-06-03 更新10
