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4 results in Authors: Vicent Moliner

Theoretical and Computational Chemistry

Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations

Sergio Marti, Kemel Arafet, Alessio Lodola, Adrian Mulholland, Katarzyna Swiderek, Vicent Moliner

Version 1 posted 11 August 2021

319

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Biological and Medicinal Chemistry

Mechanism of Inhibition of SARS-CoV-2 Mpro by N3 Peptidyl Michael Acceptor Explained by QM/MM Simulations and Design of New Derivatives with Tunable Chemical Reactivity

Kemel Arafet, Natalia Serrano-Aparicio, Alessio Lodola, Adrian Mulholland, Florenci V. González, Katarzyna Swiderek, Vicent Moliner

Version 1 posted 11 September 2020

686

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1

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Theoretical and Computational Chemistry

Revealing the Molecular Mechanisms of Proteolysis of SARS-CoV-2 Mpro from QM/MM Computational Methods.

Katarzyna Swiderek, Vicent Moliner

Version 1 posted 13 May 2020

999

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Biological and Medicinal Chemistry

Semisandwich cobalt(III) complexes as antitumor agents: high intracellular ROS activity and low in vivo toxicity

Zulima Aguado, Alejandro Soriano-Jarabo, Marcos Orduña, Guillermo Cásedas, Pablo Martínez-Vicente, Pilar García-Orduña, Cristina Moliner, M. Pilar del Río, Rodriguez Martinez Ricardo

Version 1 posted 31 July 2024

54

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