Supporting data for: The reaction mechanism of the Ideonella sakaiensis PETase enzyme
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https://zenodo.org/record/10854762
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资源简介：
Simulation data, scripts, and other supporting data for transition path sampling studies conducted as part of:
The reaction mechanism of the Ideonella sakaiensis PETase enzyme
By authors: Tucker Burgin, Benjamin C. Pollard, Brandon C. Knott, Heather B. Mayes, Michael F. Crowley, John E. McGeehan, Gregg T. Beckham, H. Lee Woodcock
Published in Communications Chemistry, 2024
This repository does not contain the aimless shooting coordinate files for each step. Those will be published separately here (for acylation) 10.5281/zenodo.10854858 and here (for deacylation) 10.5281/zenodo.10913134.
创建时间：
2024-04-03
