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Data for manuscript: The Conformational Space of the SARS-CoV-2 Main Protease Active Site Loops is Determined by Ligand Binding and Interprotomer Allostery

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https://zenodo.org/record/13730632
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The data is provided as a part of the manuscript "The Conformational Space of the SARS-CoV-2 Main Protease Active Site Loops is Determined by Ligand Binding and Interprotomer Allostery".  This repository includes an archive with folders:   md_data  a directory with MD data for all simulation systems considered in the manuscript. Initial and final conformations are provided.   fig_data a directory with the data underlying all the main text in the manuscript.    Videos S1-S3 are also included.
创建时间:
2024-09-07
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