Alessandro Contini

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

Melissa L. Boby, D. Fearon, Matteo P. Ferla et al. · Science · 2023 · 158 citations · Full text

Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N‐Oxide Lewis Base Catalysts

Samantha Staniland, Ralph W. Adams, Joseph J. W. McDouall et al. · Angewandte Chemie International Edition · 2016 · 134 citations · Full text

Virtual Screening Approach for the Identification of New Rac1 Inhibitors

Nicola Ferri, Alberto Corsini, Paolo Bottino et al. · Journal of Medicinal Chemistry · 2009 · 101 citations · Full text

Drug Target, Hit Identification, Molecular Docking Calculations +17

Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities

Irene Maffucci, Alessandro Contini · Journal of Chemical Theory and Computation · 2013 · 81 citations · Full text

Engineering, Mm-pb/gbsa Binding Energies, Computational Chemistry +24

Improved Computation of Protein–Protein Relative Binding Energies with the Nwat-MMGBSA Method

Irene Maffucci, Alessandro Contini · Journal of Chemical Information and Modeling · 2016 · 71 citations

Biomolecular Structure Prediction, Molecular Biology, Computational Chemistry +18