Project ID: plumID:21.031
Name: Photo-switchable sulfonulureas in KATP channel
Archive: https://github.com/kszewc/KATP/raw/04d5b47312b5d434e7476dc8ace91148ac38dfef/PHOTOSWITCHABLE_SULFONYLUREAS/PLUMED_METADYNAMICS_SIMULATIONS/APO.zip
Category: bio
Keywords: metadynamics, photo-pharmacology, sulfonylureas potasium ion-channels
PLUMED version: 2.6
Contributor: Katarzyna Walczewska-Szewc
Submitted on: 13 Jul 2021
Last revised: 09 Dec 2021
Publication: K. Walczewska-Szewc, W. Nowak, Photo-Switchable Sulfonylureas Binding to ATP-Sensitive Potassium Channel Reveal the Mechanism of Light-Controlled Insulin Release. The Journal of Physical Chemistry B. 125, 13111–13121 (2021)

PLUMED input files

File Compatible with
plumed.dat tested on v2.8 tested on master

Last tested: 20 May 2022, 08:28:44

Project description and instructions
Each directory contain full set of GROMACS/PLUMED simulation input files together with an exemplary run script.

Submission history
[v1] 13 Jul 2021: original submission
[v2] 09 Dec 2021: updated doi

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plumeDnest:21.031