Simulation report
Technical information
General information
Name: Wildtype monomeric gnao protein
PDB id: 3C7K
Description: -
Submitted by: Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
System setup
Solvent type: TIP3P
Membrane type: Implicit
Number of molecules:
CID 6830: 1
Magnesium: 1
Guanine nucleotide-binding protein G(o) subunit alpha: 1
Total number of atoms: 57478
Simulation details
Software and version: GROMACS, 2021.3
Forcefield and version: CHARMM, CHARMM36m
Time step : 2.0 fs
Delta : 2.0 ns
Replicates: 1
Accumulated simulation time: 5.002 µs
Additonal parameters: Available at "Simulation protocol & starting files"
Simulation components
Receptor
Mutations
Table of simulated mutations
| Residue ID | Residue seq. position | Generic num. | From | To |
|---|
