This repository contains source code and data that reproduce the article "The impact of uncertainty in hERG binding mechanism on in silico predictions of drug-induced proarrhythmic risk" by Chon Lok Lei, Dominic Whittaker and Gary Mirams.

The code requires Python (3.5+) and the dependencies listed in requirements.txt.

To setup, navigate to the path where you downloaded this repo and run

$ python3 -m venv env
$ source env/bin/activate
$ pip install -r requirements.txt

• data: Contains all the data, including fitting results.
• methods: Contains all the Python helper modules, classes and functions.
• models: Model files, contains all the hERG and AP models.
• protocols: Contains all the voltage clamp protocols.
• src: Source code for reproducing the results and figures.

If you publish any work based on the contents of this repository please cite (CITATION file):

Chon Lok Lei, Dominic G. Whittaker and Gary R Mirams. (2023).
The impact of uncertainty in hERG binding mechanism on in silico predictions of drug-induced proarrhythmic risk.
British Journal of Pharmacology doi:10.1111/bph.16250