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An Enhanced Sampling Approach to the Induced Fit Docking Problem in Protein-Ligand Binding: the case of mono-ADP-ribosylation hydrolases inhibitors2021 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Qianqian Zhao, Riccardo Capelli, Paolo Carloni, Bernhard Lüscher, Jinyu Li, Giulia Rossetti
1citations -
Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein–Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors2021 Journal of Chemical Theory and Computation article Computer Science Computational Drug Discovery Methods Open access
Qianqian Zhao, Riccardo Capelli, Paolo Carloni, Bernhard Lüscher, Jinyu Li, Giulia Rossetti
28citations -
Combining Experimental and Computational Tools to Unravel Copper‐Based Metallodrug Interactions With Proteins2025 Bioinorganic Chemistry and Applications article Biochemistry, Genetics and Molecular Biology Protein Interaction Studies and Fluorescence Analysis Open access
Quim Peña, Iker Zapirain-Gysling, Ariane Jalila Simaan, Mercè Capdevila, Olga Iranzo, Òscar Palacios, +2 more
1citations -
Directed evolution of VanR biosensor specificity in yeast2020 Biotechnology Notes article Biochemistry, Genetics and Molecular Biology Microbial Metabolic Engineering and Bioproduction Open access
Vasil D’Ambrosio, Subrata Pramanik, Kati Goroncy, Tadas Jakočiūnas, David Schönauer, Mehdi D. Davari, +3 more
29citations -
Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L2021 International Journal of Molecular Sciences article Medicine SARS-CoV-2 and COVID-19 Research Open access
Elisa Costanzi, Maria Kuzikov, Francesca Esposito, Simone Albani, Nicola Demitri, Barbara Giabbai, +5 more
91citations
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