SARS-CoV2 helicase - holo complex 3 replica's, nsp13 1μs

Category: SARS-CoV-2
Downloaded: 283

 

Total length of simulation:  3 replica (2 x 1.5 microseconds + 1 x 0.5 microseconds)   Simulation software: GROMACS 2018 
Time between snapshots: 1 nanosecond   MD forcefield: Amber ff99+ parmbsc0+chioL3 force field for ssRNA and Amber14SB10 for the helicase, ZAFF 
File formats: Topology: pdb Trajectory: dcd 
Simulation details: Run in 150mM K+/Cl-, 300K, TIP3P water. 
Trajectory donated by: SARS-CoV2 helicase consortium (SCHC) 
Citations: bioRxiv 2020.11.03.366609; doi: https://doi.org/10.1101/2020.11.03.366609
Details of SCHC http://www.hecbiosim.ac.uk/covid-19-alliance