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Trajectories of ww domain
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创建时间：
2020-04-23
相关数据集
HpTonB(30-285) simulation Amber ff99SB-ILDN
Simulation of periplasmic part of TonB protein from Helicobacter Pylori HpTonB(30-285) with Amber ff99SB-ILDN force field. Trajectory contains the whole 387ns simulation. The conformational ensemble i
NIAID Data Ecosystem50
Number of clusters (NOC) at 1.15 Å RMSD cutoff for the MD simulations and experimental thermodynamic stability data for wild-type p53 and its cancer mutants.
aRef 23. Cancer mutants are typed in bold letters. A: active, I: inactive.
NIAID Data Ecosystem50
Binding of compounds at the glucose/gliflozin binding site of SGLT2 ranked by their median RMSD between 9 and 10 nanoseconds. * denotes an existing SGLT2 inhibitor.
Binding of compounds at the glucose/gliflozin binding site of SGLT2 ranked by their median RMSD between 9 and 10 nanoseconds. * denotes an existing SGLT2 inhibitor.
NIAID Data Ecosystem10
Amyloid Cross-Interactions through the Lens of Simulations: The Case of Aβ–IAPP
While significant progress has been made in developing approaches to study amyloid self-assembly leading to homomeric fibril formation by identical proteins, our understanding of heteromeric cross-int
Figshare2025-10-06 更新50
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
