Teitl: Modulation of the Gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study - data

Dyfyniad
Faulkner C, Plant DF, de Leeuw NH (2019). Modulation of the Gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study - data. Cardiff University. http://doi.org/10.17035/d.2019.0080928584


Hawliau Mynediad: Gall data fod ar gael yn rhad ac am ddim yn amodol ar briodoli
Dull Mynediad: I anfon cais i gael y data hwn, ebostiwch opendata@caerdydd.ac.uk

Crewyr y Set Ddata o Brifysgol Caerdydd

Manylion y Set Ddata
Cyhoeddwr: Cardiff University
Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd: 2019
Fformat y data: .py, .prmtop, .inpcrd, .mol2, .xvg, .dat, .frcmod, .in
Meddalwedd ofynnol: All files can be viewed by text editors
Amcangyfrif o gyfanswm maint storio'r set ddata: Llai na 100 megabeit
Nifer y ffeiliau yn y set ddata: 11
DOI: 10.17035/d.2019.0080928584

Disgrifiad

The data available here supports the publication "Modulation of the Gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study". The data provided here contains Amber topology and coordinate files used for the fentanyl simulations. Parameter, coordinate, mol2 and frcmod files are provided for the fentanyl ligand. The amber production input file is provided which shows the simulation parameters used. The python scripts used to calculate the number of pore water molecules has been included. Xmgrace files for the creation of the pore water figure are included.  

Research results based upon these data are published at http://doi.org/ 10.1021/acs.biochem.9b00881



Prosiectau Cysylltiedig

Diweddarwyd y tro diwethaf ar 2020-03-03 am 11:57