MD setup data for ansamer amanitin derivatives and precursors for atroposelective synthesis
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Setup files to reproduce the MD simulations for the amanitin derivatives <strong>4a </strong>and <strong>4b</strong> as well as the precursors <strong>3b</strong> and <strong>3c. </strong>The MD simulations were part of the study: G. Yao, S. Kosol, M. T. Wenz, E. Irran, B. G. Keller, O. Trapp, R. D. Süssmuth, <em>ChemRxiv</em> 2022, DOI 10.26434/chemrxiv-2022-ll8lq. For further instructions on the files, please refer to '0_README'.
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Zenodo创建时间：
2022-09-29
