Work

Constant-pH molecular dynamics simulations of a proton-gated ion channel

Year: 2023

Type: article

Abstract: Constant-pH molecular dynamics simulations .analysis_results - Analysis (.csv) data and Python scripts for generating the (relevant) paper figures. .prep_file - Topology, force field, and GROMACS parameter files for preparing the simulations. .production_traj - Simulation trajectories and lambda coordinates.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.8364283

Authors: Anton Jansen, Paul Bauer, Rebecca J. Howard, Berk Hess, Erik Lindahl

Institutions: KTH Royal Institute of Technology, Stockholm University

Language: English

Topic: Ion channel regulation and function

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W6950478833

FWCI:

Cites:

Cited by:

Related to: 10