Free cookie consent management tool by TermsFeed GPCRmd
× Due to a recent server update, this page will be slow for the next 1-2 hours. We apologize for any inconvenience this may cause.

Simulation report

Technical information

General information

Name: Casestudy - inserveagonist (apoform)

PDB id: XXXX

Submitted by: Brian Medel, IMIM

System setup

Solvent type: TIP3P

Membrane type: Homogeneous

Number of molecules:

Neurotensin receptor type 1: 1

Total number of atoms: 4756

Simulation details

Software and version: ACEMD, 3.3

Forcefield and version: CHARMM, 37

Time step : 4.0 fs

Delta : 2.0 ns

Replicates: 1

Accumulated simulation time: 10.0 µs

Additonal parameters: Available at "Simulation protocol & starting files"

Simulation components

Receptor

Visualization and trajectory sharing powered by NGL viewer and MDSrv

Open with GPCRmd Workbench

Mutations

Table of simulated mutations

(Mutations shown in blue at the viewer)

Residue ID Residue seq. position Generic num. From To
182 181 34x57 M L
268 267 5x68 M L
273 272 5x73 E -
273 272 5x73 Q -
273 272 5x73 G -
273 272 5x73 R -
273 272 5x73 V -
273 272 5x73 C -
273 272 5x73 T -
273 272 5x73 V -
273 272 5x73 G -
273 272 5x73 T -
273 272 5x73 H -
273 272 5x73 N -
273 272 5x73 G -
273 272 5x73 L -
273 272 5x73 E -
273 272 5x73 H -
273 272 5x73 S -
273 272 5x73 T -
276 275 - M L

PARTNER SERVERS

GPCRdb

GPCR-ModSim

GPCRM

NMRlipids

HomolWat

Hybrid MM/CG Webserver

CONTACT & LINKS

Documentation

Cite us

Privacy policy

Cookies policy

Disclaimer

Terms & Conditions

SUPPORTED BY

ERNEST (COST Action CA18133)

GLISTEN (COST Action CM1207)

GPCRForum