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Trajectories dataTrajectories of WW domain
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2020-04-23
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Table5.csv
Antimicrobial peptides (AMPs) are gaining attention as substitutes for antibiotics in order to combat the risk posed by multi-drug resistant pathogens. Several research groups are engaged in design of
NIAID Data Ecosystem40
PDB: 2XWT, Crystal structure of TSH receptor in complex with human mAb autoantibody K1-70 (311K, 38°C, 400 ns): random seed #2
2XWT, Crystal structure of TSH receptor in complex with human mAb autoantibody K1-70 (311K, 38°C, 400 ns): random seed #2. Contains PDBs obtained every 50 ns and free binding energy calculations.
NIAID Data Ecosystem00
Average times between folding-unfolding transitions in different confinements for investigated knotted (MJ0366, MJ036_CC, VirC2, DndE), and unknotted (AvtR) proteins.
Times are given in simulation steps and divided by 106.
Figshare2017-05-11 更新00
Dynamic Mechanism of Peptide Agonist Binding in CXCR4 Chemokine Receptor
Using the recently published computational model of the CXCR4-CXCL12 complex(Ngo et al., 2020), we investigate binding mechanisms of the super and partial peptide agonists (ASLW and RSVM) in the CXCR4
DataCite Commons2022-01-14 更新30
PDB - 7D4B: Crystal structure of 4-1BB in complex with a VHH, (313K, 40°C, 100 ns): RMSD, SASA, RMSF, Rg, H-bonds
PDB - 7D4B: Crystal structure of 4-1BB in complex with a VHH, (313K, 40°C, 100 ns): RMSD, SASA, RMSF, Rg, H-bonds
NIAID Data Ecosystem00



