herg-binding-mechanisms
Source code and data for reproducing "The impact of uncertainty in hERG binding mechanism on in silico predictions of drug-induced proarrhythmic risk".
Science Score: 13.0%
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○CITATION.cff file
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Found 3 DOI reference(s) in README -
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Low similarity (8.2%) to scientific vocabulary
Keywords
Repository
Source code and data for reproducing "The impact of uncertainty in hERG binding mechanism on in silico predictions of drug-induced proarrhythmic risk".
Basic Info
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Metadata Files
README.md
Impact of hERG binding mechanisms on risk prediction
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.
Requirements
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
console
$ python3 -m venv env
$ source env/bin/activate
$ pip install -r requirements.txt
Outline
- 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.
Acknowledging this work
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
Owner
- Name: Cardiac Modelling
- Login: CardiacModelling
- Kind: organization
- Location: United Kingdom
- Website: https://www.maths.nottingham.ac.uk/plp/pmzgm/
- Repositories: 20
- Profile: https://github.com/CardiacModelling
Codes and Resources from the University of Nottingham's cardiac modelling team
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Top Committers
| Name | Commits | |
|---|---|---|
| Chon Lok Lei | c****i@g****m | 54 |
| Gary Mirams | g****s@g****m | 3 |
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