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Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins | Journal of Chemical Information and Modeling
Self-Association and Nitroaromatic-Induced Deaggregation of Pyrene Substituted Pyridine Amides | Journal of the American Chemical Society
Cocrystals of Oxymatrine: Reducing Hygroscopicity and Affecting the Dissolution Rate | Crystal Growth & Design
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Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 Mpro Explored by QM/MM Simulations | ACS Catalysis
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Unraveling the SARS-CoV-2 Main Protease Mechanism Using Multiscale Methods | ACS Catalysis
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