Work

Markov State Models of Proton- and Gate-Dependent Activation in a Pentameric Ligand-Gated Ion Channel

Year: 2021

Type: article

Abstract: XTC files: contain 6-7 randomly sampled conformations from five clusters (state1-5) obtained from each Markov state model (WT7 - deprotonated wild-type, WT4 - protonated wild-type, I233T7 - deprotonated I233T mutant, I233T4 - protonated I233T mutant). GRO files: topology files needed for visualization of the XTC files MDP file: simulation parameters for running the MD simulations in GROMACS

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.4594192

Authors: Bergh, Cathrine, Heusser, Stephanie, Howard, Rebecca, Lindahl, Erik

Institutions: Science for Life Laboratory, Swedish e-Science Research Centre, KTH Royal Institute of Technology, University of Copenhagen, Stockholm University

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W6912730511

FWCI:

Cites:

Cited by:

Related to: 10