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PDB: 5GGV, CTLA-4 in complex with tremelimumab Fab (311K, 38°C, 100 ns)

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分子相互作用模拟

分子动力学轨迹

数据链接：

https://doi.org/10.7910/DVN/YAZGUT 数据链接链接失效反馈

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资源简介：

CTLA-4 in complex with tremelimumab Fab (311K, 38°C, 100 ns). Contains PDBs obtained every 50 ns.

应用场景：

创建时间：

2025-11-27

抗原抗体复合物结构

分子动力学轨迹

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

DataCite Commons2024-10-24 更新30

PDB - 3HMX: Crystal structure of ustekinumab FAB/IL-12 complex, (310K, 37°C, 100 ns) - RMSD, SASA, RMSF, Rg, H-bonds

抗体-细胞因子相互作用

分子动力学轨迹

PDB - 3HMX: Crystal structure of ustekinumab FAB/IL-12 complex, (310K, 37°C, 100 ns) - RMSD, SASA, RMSF, Rg, H-bonds

DataCite Commons2024-10-24 更新10

PDB: 3D85, IL-23 in complex with 7G10 antibody (313K, 40°C, 100 ns)

分子相互作用模拟

分子动力学轨迹

Molecular Dynamics Simulations (100 nanoseconds) of IL-23 in complex with 7G10 antibody at 313K (40°C). Includes PDB files obtained every 50 ns.

NIAID Data Ecosystem00

MD simulation trajectory and related files for POPC bilayer with 340mM NaCl (Berger model delivered by Tieleman, ffgmx ions, Gromacs 4.5)

脂质双分子层

分子动力学轨迹

Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Peter Tieleman (http://wcm.ucalgary.ca/tieleman/downloads), double bonds updated in http://dx.doi.org/1

NIAID Data Ecosystem10

GTT-1-protein-233.dcdWW domain trajectories

蛋白质WW结构域模拟

分子动力学轨迹

Trajectories of ww domainTrajectories dataTrajectories of WW domain

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