Structures AVI-CD

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posted on 2025-04-23, 15:38 authored by Jackson AlcázarJackson Alcázar, Paola Campodonico, René López

3D structures from molecular dynamics simulations, last-frame electron optimization using the DFT method, and non-covalent interaction (NCI) mapping.

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Supramolecular chemistry

Keywords

Avibactam β-Lactamase inhibitor Supramolecular derivatization Molecular dynamics simulation Cyclodextrin inclusion complex

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