General information
Name: SARS-CoV-2 spike receptor binding domain bound with FERR ACE2 (REAL)
Included proteins: ACE2, Spike
Uniprot ID: P0DTC2
Species: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)
PDB ID: 6VW1
Extracted from: BioExcel (ID: MCV1900031)
Author: Vito Genna
Submission date: October 22, 2020
System setup
Ligands: None
Membrane composition: None
Solvent type: None
Total number of atoms: 12575
Simulation details
Software and version: GROMACS 2019.1
Time step : 2.0 fs
Delta : 0.1 ns
Replicates: 1
Accumulated simulation time: 0.1900 µs
References
SARS-CoV-2 Inhibition, Host Selection and Next-Move Prediction Through High-Performance Computing. Vito Genna1, Adam Hospital1 and Modesto Orozco1,2
1. Institute for Research in Biomedicine (IRB Barcelona), Barcelona Institute of Science and Technology,C/ Baldiri Reixac 10-12, Barcelona 08028, Spain
2. Department of Biochemistry and Biomedicine, University of Barcelona, Barcelona 08028, Spain
Visualization and trajectory sharing powered by NGL Viewer and MDsrv.
The interaction network has been generated using Flare Plots, powered by R. Fonseca and A. J. Venkatakrishnan.
Region of interest
Domain of interest
Select a variant from the sequence to obtain its impact score as well as mutation effect and time-dependent descriptors: Selected: Selected:
Select a variant from the sequence above to obtain its impact score as well as mutation effect and time-dependent descriptors.