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Protein Science : a Publication of the Protein Society|June 19, 2026
The pivotal role of β-lactone stereochemistry in the development of SARS-CoV-2 M<sup>pro</sup> inhibitorsKatarzyna Świderek, Vicent MolinerThe Journal of Physical Chemistry. B|December 2, 2015
Computational Studies of Candida Antarctica Lipase B to Test Its Capability as a Starting Point To Redesign New Diels-AlderasesKatarzyna Świderek, Vicent MolinerChemical Science|June 7, 2021
Revealing the molecular mechanisms of proteolysis of SARS-CoV-2 M<sup>pro</sup> by QM/MM computational methodsKatarzyna Świderek, Vicent MolinerJournal of the American Chemical Society|December 10, 2016
Dynamic and Electrostatic Effects on the Reaction Catalyzed by HIV-1 ProteaseAgnieszka Krzemińska, Vicent Moliner, Katarzyna ŚwiderekACS Catalysis|October 24, 2024
Electrostatic Preorganization in Three Distinct Heterogeneous Proteasome β-SubunitsSilvia Ferrer, Vicent Moliner, Katarzyna ŚwiderekJournal of Chemical Information and Modeling|June 4, 2021
QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene TerephthalateSergio Boneta, Kemel Arafet, Vicent MolinerBiochemistry|May 13, 2015
First quantum mechanics/molecular mechanics studies of the inhibition mechanism of cruzain by peptidyl halomethyl ketonesKemel Arafet, Silvia Ferrer, Vicent MolinerPhysical Chemistry Chemical Physics : PCCP|April 15, 2015
The influence of active site conformations on the hydride transfer step of the thymidylate synthase reaction mechanismKatarzyna Swiderek, Amnon Kohen, Vicent MolinerPhysical Chemistry Chemical Physics : PCCP|July 24, 2012
Theoretical studies of HIV-1 reverse transcriptase inhibitionKatarzyna Świderek, Sergio Martí, Vicent MolinerOrganic & Biomolecular Chemistry|June 23, 2012
A theoretical study of carbon-carbon bond formation by a Michael-type additionKatarzyna Świderek, Anna Pabis, Vicent MolinerPageof 13