官方服务:
资源简介:
Configuration of a simulation equilibrated at 8 GPa and 450K
应用场景:
提供机构:
Toffano, Alberto创建时间:
2024-09-10
相关数据集
Tubulin's response to external electric fields by molecular dynamics simulations
Tubulin heterodimers are the building blocks of microtubules and disruption of their dynamics is exploited in the treatment of cancer. Electric fields at certain frequencies and magnitudes are believe
NIAID Data Ecosystem60
Structural Model for the Spider Silk Protein Spidroin‑1
Most reports about the 3-D structure of spidroin-1 have been proposed for the protein in solid state or for individual domains of these proteins. A gel-based mass spectrometry strategy using collision
NIAID Data Ecosystem30
PDB: 2XWT, Crystal structure of TSH receptor in complex with human mAb autoantibody K1-70 (312K, 39°C, 400 ns): random seed #1 - RMSD, SASA, RMSF, Rg, H-bonds
PDB: 2XWT, Crystal structure of TSH receptor in complex with human mAb autoantibody K1-70 (312K, 39°C, 400 ns): random seed #1 - RMSD, SASA, RMSF, Rg, H-bonds
Harvard Dataverse2024-10-18 更新00
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40
Combined Crystallographic and Solution Molecular Dynamics Study of Allosteric Effects in Ester and Ketone p - tert -Butylcalix[4]arene Derivatives and Their Complexes with Acetonitrile, Cd(II), and Pb(II)
We describe here a procedure to bridge the gap in the field of calixarene physicochemistry between solid-state atomic-resolution structural information and the liquid-state low-resolution thermodynami
NIAID Data Ecosystem30



