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2008年实验室模拟单宁酸与纳米碳管的相互作用数据
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PDB: 6J14, Programmed cell death 1 (PD-1) in complex with GY-14 antibody (311K, 38°C, 100 ns)
Molecular Dynamics Simulations (100 nanoseconds) of PD-1 in complex with GY-14 antibody at 311K (38°C). Includes PDB files obtained every 50 ns.
DataONE2023-10-13 更新120
Accelerating Protein Docking in ZDOCK Using an Advanced 3D Convolution Library
Computational prediction of the 3D structures of molecular interactions is a challenging area, often requiring significant computational resources to produce structural predictions with atomic-level a
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Simulations of Sec61 with a substrate-selective inhibitor, conformation 1
Simulations for an alternative conformation of KZR-8445 bound to Sec61. Data for the conformation used in Rehan et al. , Nature Chemical Biology 19, pages 1054–1062 (2023) are available at htt
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Additional file 16 of Novel pH-responsive nanohybrid for simultaneous delivery of doxorubicin and paclitaxel: an in-silico insight
Additional file 16. Hydrogen bonds between PAX and DMAA-TMC at pH = 5.5
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Highlights the residues of Smad3 and Mad Homology-2 domain that form hydrogen bonds with group-III ligands before and during the 250 ns of Molecular Dynamic (MD) simulation.
Highlights the residues of Smad3 and Mad Homology-2 domain that form hydrogen bonds with group-III ligands before and during the 250 ns of Molecular Dynamic (MD) simulation.
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