Dataset - Catalog

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2 datasets found

Federal

Cross-species molecular docking method to support predictions of species susceptibility to chemical effects

U.S. Environmental Protection Agency —

The advancement of protein structural prediction tools, exemplified by AlphaFold and Iterative Threading ASSEmbly Refinement, has enabled the prediction of protein...
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Federal

A role of proton transfer in peroxidase-catalyzed process elucidated by substrates docking calculations

U.S. Department of Health & Human Services —

Background Previous kinetic investigations of fungal-peroxidase catalyzed oxidation of N-aryl hydroxamic acids (AHAs) and N-aryl-N-hydroxy urethanes (AHUs) revealed...
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2 datasets found

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