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Trajectories dataTrajectories of WW domain
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2020-04-23
相关数据集
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
DataCite Commons2024-10-24 更新30
Molecular Dynamics Flexible Fitting Simulations Identify New Models of the Closed State of the Cystic Fibrosis Transmembrane Conductance Regulator Protein
Cystic fibrosis (CF) is a lethal, genetic disease found in particular in humans of European origin which is caused by mutations in the cystic fibrosis transmembrane conductance regulator (CFTR) chlori
NIAID Data Ecosystem20
PDB - 3HMX: Crystal structure of ustekinumab FAB/IL-12 complex, (310K, 37°C, 100 ns) - RMSD, SASA, RMSF, Rg, H-bonds
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
γ‑Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate
To investigate diazepinone analogues as γ-turn mimics, seven 1,4-benzodiazepin-2-ones 6 and fourteen pyrrolo[1,2-d][1,4]benzodiazepin-6-ones 4 and 5 were synthesized from 1-(2-aminophenyl)pent-4-e
NIAID Data Ecosystem20
MD simulation trajectory and related files for POPC bilayer with 340mM NaCl (Berger model delivered by Tieleman, ffgmx ions, Gromacs 4.5)
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
