SARS-CoV2 protease (PDB entry 6Y84) 1μs

Category: SARS-CoV-2
Downloaded: 357

 

Total length of simulation:  1 microsecond  Simulation software: Desmond
Time between snapshots: 1 nanosecond  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. 
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.