AI.zymes – A Modular Platform for Evolutionary Enzyme Design
收藏DataCite Commons2025-04-28 更新2025-05-18 收录
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https://data.bris.ac.uk/data/dataset/fvbvxg89ldwn2kv5ecxba9b7m/
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AI.zymes – A Modular Platform for Evolutionary Enzyme Design
Lucas P. Merlicek, Jannik Neumann, Abbie Lear, Vivian Degiorgi, Moor M. de Waal, Tudor-Stefan Cotet, Adrian J. Mulholland, and H. Adrian Bunzel
Published in Angewandte Chemie (2025) - https://doi.org/10.1002/anie.202507031
For the latest version of AI.zymes, please visit the GitHub repository:
https://github.com/bunzela/AIzymes
This repository contains the AI.zymes source code used to generate designs, along with the following:
- Designed Enzyme Structures.
- Input coordinates, trajectories, and key observables from MD simulations.
- Jupyter notebooks used to run AI.zymes and perform MD simulations.
- Input Files used to run AI.zymes.
提供机构：
University of Bristol
创建时间：
2025-04-25
