Simulation report

Technical information

Parameters

Software and version: ACEMD, 3203

Forcefield and version: CHARMM, 36

Solvent type: TIP3P

Membrane type: Homogeneous

Time step : 4.0 fs

Delta : 4.0 ns

Simulation components

Ligands

Orthosteric ligand(s)

Naltrindole


Experimental Data:
Ki: 0.199 nM More details

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Mutations

Table of simulated mutations

(Mutations shown in blue at the viewer)

Residue Generic num. From To
37 - P S


Other molecules