SlimMD Database
SARS-CoV2 protease (PDB entry 6Y84) 100μs
Category: SARS-CoV-2
Downloaded: 967
| Total length of simulation: | 100 microseconds | Simulation software: | Desmond |
| Time between snapshots: | 100 nanoseconds | MD forcefield: | DES-Amber |
| File formats: | pdb file (topology) and AMBER coordinate file (trajectory) | ||
| Simulation details: | 0.15M NaCl Further details in "before_slimMD_desres_README.txt. The original simulation has DESRES ID 10880334. |
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| Trajectory donated by: | DESRES - slimmed by CCPBioSim. | ||
| Citations: |
The use of this simulation data in any published work should be acknowledged by including a citation to: D. E. Shaw Research, "Molecular Dynamics Simulations Related to SARS-CoV-2," D. E. Shaw Research Technical Data, 2020. http://www.deshawresearch.com/resources_sarscov2.html. Please also acknowledge CCPBioSim if you download from SlimMD. |
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