SARS-CoV2 spike protein in open conformation (PDB ID 6VYB) 10μs

Category: SARS-CoV-2
Downloaded: 386

 

Total length of simulation:  10 microseconds   Simulation software: Desmond 
Time between snapshots: 10.2 nanoseconds  MD forcefield: DES-Amber 
File formats: psf (charmm topology file) and dcd (NAMD trajectory file). 
Simulation details: 0.15mM NaCl
Details of the original trajectory can be found in "before_slimMD_desres_README.txt". The desres ID of this simulation is 11021571. 
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.