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Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A.

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Optimization of a serotype-selective. small-molecule inhibitor of botulinum neurotoxin serotype A (BoNTA) endopeptidase is a formidable challenge because the enzyme-substrate interface is unusually large and the endopeptidase itself is a large. zinc-binding protein with a complex fold that is difficult to simulate computationally. We conducted multiple molecular dynamics simulations o... https://parisnaturalfoodes.shop/product-category/ubiquinol-200mg/
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