Deposited Data |
|
First frame of MD trajectory (.gro) |
This work |
10.5281/zenodo.3476169 |
Representative open state (.pdb) |
This work |
10.5281/zenodo.3476169 |
Trajectory of stable open state |
This work |
10.5281/zenodo.3476169 |
GlyR α1 +Gly |
(Du et al., 2015) |
PDB: 3JAE
|
X-ray structure of GlyR α3 +Gly |
Huang et al., 2017b |
PDB:5TIN
|
Cryo-EM structure of 5-HT3 receptor |
Polovinkin et al., 2018 |
PDB:6HIN
|
Open structure of GLIC |
Bocquet et al., 2009 |
PDB:3EAM
|
|
Software and Algorithms |
|
AMBER99SB-ILDN force-field |
Lindorff-Larsen et al., 2010 |
http://ambermd.org/AmberModels.php |
Slipids force-field |
Jämbeck and Lyubartsev, 2012a, Jämbeck and Lyubartsev, 2012b
|
http://www.fos.su.se/∼sasha/SLipids/ |
Zwitterionic glycine force-field |
Horn, 2014 |
http://research.bmh.manchester.ac.uk/bryce/amber |
CHAP |
Klesse et al., 2019 |
https://www.channotation.org |
gromacs |
Abraham et al., 2015 |
http://www.gromacs.org/ |
MDAnalysis |
Michaud-Agrawal et al., 2011 |
https://www.mdanalysis.org/ |
MODELLER 9.16 |
Webb and Sali, 2014 |
https://salilab.org/modeller/ |
Phenix |
Adams et al., 2010 |
https://www.phenix-online.org/ |
RESMAP |
Kucukelbir et al., 2014 |
http://resmap.sourceforge.net |
UCSF Chimera |
Pettersen et al., 2004 |
https://www.cgl.ucsf.edu/chimera/ |
VMD 1.9 |
Humphrey et al., 1996 |
http://www.ks.uiuc.edu/Research/vmd/ |