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Trajectories dataTrajectories of WW domain
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2020-04-23
相关数据集
simu.Ord0245.tar
Bootstrap alignment files for fitting PMSF based on the ML tree estimated from Ord0245, one of the 300 proteins in the HSSP test datasets. These data were used for producing Fig. S1.
DataONE2017-08-04 更新50
Effect of the Topology on Wetting and Drying of Hydrophobic Porous Materials
Source files and results of MD simulations published in ACS Applied Materials & Interfaces. "Effect of the Topology on Wetting and Drying of Hydrophobic Porous Materials". DOI: 10.1021/acsami.2c0603
Zenodo2025-01-14 更新00
Dataset for: Molecular Dynamics study of the Recognition of the Nucleic Acid Aptamer to ATP
Files with the initial aptamer structures (wt and three mutant forms) and their complexes with ATP after docking, used in the MD simulations, along with MD simulation trajectories and meta-eABF simula
Zenodo2020-07-31 更新00
DataSheet1_Caging Polycations: Effect of Increasing Confinement on the Modes of Interaction of Spermidine3+ With DNA Double Helices.PDF
Polyamines have important roles in the modulation of the cellular function and are ubiquitous in cells. The polyamines putrescine2+, spermidine3+, and spermine4+ represent the most abundant organic co
NIAID Data Ecosystem10
Md Simulation Trajectory Of A Fully Hydrated Dppg Bilayer @314K: Slipids, Gromacs 5.0.4. 2017.
MD simulation trajectory files, for fully hydrated DPPG bilayer [288 DPPG, 11232 WAT and 288 NA ions]. The SLIPIDS force field was used with Gromacs 5.0.4. Conditions: T=314K. 200 ns trajectory, last
Zenodo2017-04-13 更新00
