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European Journal of Medicinal Chemistry|January 7, 2019
Theoretical study of the inhibition mechanism of human 20S proteasome by dihydroeponemycinNatalia Serrano-Aparicio, Katarzyna Świderek, Vicent MolinerChemical Communications (Cambridge, England)|April 29, 2021
A QM/MM study on the origin of retro-aldolase activity of a catalytic antibodyDaria De Raffele, Sergio Martí, Vicent MolinerChemistry (Weinheim an Der Bergstrasse, Germany)|November 7, 2019
Quantum Mechanics/Molecular Mechanics Studies of the Mechanism of Cysteine Proteases Inhibition by Dipeptidyl NitroalkenesKemel Arafet, Florenci V González, Vicent MolinerChemistry (Weinheim an Der Bergstrasse, Germany)|April 14, 2021
Elucidating the Dual Mode of Action of Dipeptidyl Enoates in the Inhibition of Rhodesain Cysteine ProteasesKemel Arafet, Florenci V González, Vicent MolinerJournal of Chemical Information and Modeling|July 12, 2021
Computational Studies Suggest Promiscuous <i>Candida antarctica</i> Lipase B as an Environmentally Friendly Alternative for the Production of EpoxidesMiquel A Galmés, Katarzyna Świderek, Vicent MolinerMolecules (Basel, Switzerland)|September 26, 2015
Is Promiscuous CALB a Good Scaffold for Designing New Epoxidases?Isabel Bordes, José Recatalá, Katarzyna Świderek, et al.The Journal of Physical Chemistry. B|August 19, 2014
Binding isotope effects as a tool for distinguishing hydrophobic and hydrophilic binding sites of HIV-1 RTAgnieszka Krzemińska, Piotr Paneth, Vicent Moliner, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 24, 2017
Revealing the Origin of the Efficiency of the De Novo Designed Kemp Eliminase HG-3.17 by Comparison with the Former Developed HG-3Katarzyna Świderek, Iñaki Tuñón, Vicent Moliner, et al.Biochemistry|March 3, 2007
A quantum mechanics/molecular mechanics study of the catalytic mechanism of the thymidylate synthaseNatalia Kanaan, Sergio Martí, Vicent Moliner, et al.The Journal of Chemical Physics|January 26, 2007
Singlet-triplet gaps in large multireference systems: spin-flip-driven alternatives for bioinorganic modelingAurélien de la Lande, Vicent Moliner, Olivier PariselPageof 13