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M Rejwan Ali & Mihaly Mezei. (2021) Observation of quantum signature in rivastigmine chemical bond break-up and quantum energetics, spectral studies of anti-Alzheimer inhibitors. Journal of Biomolecular Structure and Dynamics 39:1, pages 118-128.
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Martina Veit-Acosta & Walter Filgueira de Azevedo Junior. (2022) Computational Prediction of Binding Affinity for CDK2-ligand Complexes.
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Yueping Wang, Jiangyuan Wang, Peng Zhong, Yiming Li, Christopher Cong Lai & Yanping He. (2018) Molecular insight into the interaction mechanisms of an annulated pyrazole (DB08446) with HIV-1 RT: a QM and QM/QM′ study. Monatshefte für Chemie - Chemical Monthly 149:10, pages 1919-1929.
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Jakub Kollar & Vladimir Frecer. (2017) How accurate is the description of ligand–protein interactions by a hybrid QM/MM approach?. Journal of Molecular Modeling 24:1.
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