Published April 22, 2020
| Version Version 1
Dataset
Open
Computational insights into voltage dependence of polyamine block in a strong inwardly rectifying K+ channel
Authors/Creators
- 1. University of Vienna
Description
Supplemental Material to the study "Computational insights into voltage dependence of polyamine block in a strong inwardly rectifying K+ channel", to be published in Frontiers in Pharmacology.
The upload contains (1) a representative trajectory (run4), and (2) two frames of the SPM inward-pulling simulations:
- (1) Free MD run4 with outward driving force, containing the compressed .xtc, the .tpr, and the final step as .gro file
- (2) steered MD, containing the starting frame (SPM in the central cavity below the Selectivity Filter) and a representative frame of SPM interacting with the CTD-binding site.
Notes
Grants: Austrian Science Fund: Molecular Drug Targets (W 1232)