Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution of a β-lactamase
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https://data.bris.ac.uk/data/dataset/phtj9yrbdkrq2t6n53k84evkg/
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资源简介：
Data related to:
"Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution of a β-lactamase".
Christopher Fröhlich, H. Adrian Bunzel, Karol Buda, Adrian J. Mulholland, Marc W. van der Kamp, Pål J. Johnsen, Hanna-Kirsti S. Leiros, Nobuhiko Tokuriki
Nature Catalysis 2023.
This repository contains Jupyter notebooks and input files required to replicate the MD simulations and analyses of the OXA-48 variants, as well as trajectories and MD snapshots. The repository furthermore contains PDB structures of all ensemble refinements presented in this work.
提供机构：
University of Bristol
创建时间：
2024-01-10
