Vicent Moliner (V Moliner)

ResearcherID Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 61

Top Venues

Journal of chemical information and modeling

Chemical science

Angewandte Chemie (International ed. in English)

Journal of chemical theory and computation

Universitat Jaume I (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Universitat Jaume I - Dec 10 1991

Spain

PHD

Universitat de València - Jun 01 1989

Spain

MSC :: Departament de Química Física

Universitat de València Jul 01 1983 - Sep 01 1988

Spain

BSC

Publications

Francisco Javier Medrano, Sergio de la Hoz-Rodríguez, Sergio Martí, Kemel Arafet, Tanja Schirmeister, Stefan Josef Hammerschmidt, Christin Müller, Águeda González-Martínez, Elena Santillana, John Ziebuhr, Antonio Romero, Collin Zimmer, Annabelle Carolin Weldert, Robert Zimmermann, Alessio Lodola, Katarzyna Świderek, Vicent Moliner, Florenci V González
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Communications chemistry 7 (1) (2024)
J Javier Ruiz-Pernía, Katarzyna Świderek, Joan Bertran, Vicent Moliner, Iñaki Tuñón
Electrostatics as a Guiding Principle in Understanding and Designing Enzymes. Journal of chemical theory and computation (2024)
J Javier Ruiz-Pernía, Katarzyna Świderek, Joan Bertran, Vicent Moliner, Iñaki Tuñón
Electrostatics as a Guiding Principle in Understanding and Designing Enzymes. Journal of chemical theory and computation 20 (5) (2024)
Thomas L Williams, Irshad M Taily, Lewis Hatton, Andrey A Berezin, Yi-Lin Wu, Vicent Moliner, Katarzyna Świderek, Yu-Hsuan Tsai, Louis Y P Luk
Secondary Amine Catalysis in Enzyme Design: Broadening Protein Template Diversity through Genetic Code Expansion. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Elena Gabirondo, Katarzyna Świderek, Edurne Marin, Ainhoa Maiz-Iginitz, Aitor Larranaga, Vicent Moliner, Agustin Etxeberria, Haritz Sardón
A Single Amino Acid Able to Promote High-Temperature Ring-Opening Polymerization by Dual Activation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2024)
Thomas L Williams, Irshad M Taily, Lewis Hatton, Andrey A Berezin, Yi-Lin Wu, Vicent Moliner, Katarzyna Świderek, Yu-Hsuan Tsai, Louis Y P Luk
Secondary Amine Catalysis in Enzyme Design: Broadening Protein Template Diversity through Genetic Code Expansion. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Thomas L Williams, Irshad M Taily, Lewis Hatton, Andrey A Berezin, Yi-Lin Wu, Vicent Moliner, Katarzyna Świderek, Yu-Hsuan Tsai, Louis Y P Luk
Secondary Amine Catalysis in Enzyme Design: Broadening Protein Template Diversity through Genetic Code Expansion. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Elena Gabirondo, Katarzyna Świderek, Edurne Marin, Ainhoa Maiz-Iginitz, Aitor Larranaga, Vicent Moliner, Agustin Etxeberria, Haritz Sardón
A Single Amino Acid Able to Promote High-Temperature Ring-Opening Polymerization by Dual Activation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (16) (2024)
Francisco Javier Medrano, Sergio de la Hoz-Rodríguez, Sergio Martí, Kemel Arafet, Tanja Schirmeister, Stefan Josef Hammerschmidt, Christin Müller, Águeda González-Martínez, Elena Santillana, John Ziebuhr, Antonio Romero, Collin Zimmer, Annabelle Carolin Weldert, Robert Zimmermann, Alessio Lodola, Katarzyna Świderek, Vicent Moliner, Florenci V González
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Communications chemistry 7 (1) (2024)
Katarzyna Świderek, Sergio de la Hoz-Rodríguez, Kemel Arafet, Vicent Moliner
Computational study of the mechanism of a polyurethane esterase A (PueA) from Pseudomonas chlororaphis . Faraday discussions (2024)
Elena Gabirondo, Katarzyna Świderek, Edurne Marin, Ainhoa Maiz-Iginitz, Aitor Larranaga, Vicent Moliner, Agustin Etxeberria, Haritz Sardón
A Single Amino Acid Able to Promote High-Temperature Ring-Opening Polymerization by Dual Activation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (16) (2024)
J Javier Ruiz-Pernía, Katarzyna Świderek, Joan Bertran, Vicent Moliner, Iñaki Tuñón
Electrostatics as a Guiding Principle in Understanding and Designing Enzymes. Journal of chemical theory and computation 20 (5) (2024)
J Javier Ruiz-Pernía, Katarzyna Świderek, Joan Bertran, Vicent Moliner, Iñaki Tuñón
Electrostatics as a Guiding Principle in Understanding and Designing Enzymes. Journal of chemical theory and computation 20 (5) (2024)
Thomas L Williams, Irshad M Taily, Lewis Hatton, Andrey A Berezin, Yi-Lin Wu, Vicent Moliner, Katarzyna Świderek, Yu-Hsuan Tsai, Louis Y P Luk
Secondary Amine Catalysis in Enzyme Design: Broadening Protein Template Diversity through Genetic Code Expansion. Angewandte Chemie (International ed. in English) (2024)
Thomas L Williams, Irshad M Taily, Lewis Hatton, Andrey A Berezin, Yi-Lin Wu, Vicent Moliner, Katarzyna Świderek, Yu-Hsuan Tsai, Louis Y P Luk
Secondary Amine Catalysis in Enzyme Design: Broadening Protein Template Diversity through Genetic Code Expansion. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Elena Gabirondo, Katarzyna Świderek, Edurne Marin, Ainhoa Maiz-Iginitz, Aitor Larranaga, Vicent Moliner, Agustin Etxeberria, Haritz Sardón
A Single Amino Acid Able to Promote High-Temperature Ring-Opening Polymerization by Dual Activation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (16) (2024)
J Javier Ruiz-Pernía, Katarzyna Świderek, Joan Bertran, Vicent Moliner, Iñaki Tuñón
Electrostatics as a Guiding Principle in Understanding and Designing Enzymes. Journal of chemical theory and computation 20 (5) (2024)
Kemel Arafet, Santiago Royo, Tanja Schirmeister, Fabian Barthels, Florenci V González, Vicent Moliner
Impact of the Recognition Part of Dipeptidyl Nitroalkene Compounds on the Inhibition Mechanism of Cysteine Proteases Cruzain and Cathepsin L. ACS catalysis 13 (9) (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Adrián Fernández-de-la-Pradilla, Santiago Royo, Tanja Schirmeister, Fabian Barthels, Katarzyna Świderek, Florenci V González, Vicent Moliner
Impact of the Warhead of Dipeptidyl Keto Michael Acceptors on the Inhibition Mechanism of Cysteine Protease Cathepsin L. ACS catalysis 13 (20) (2023)
Santiago Movilla, Maite Roca, Vicent Moliner, Alessandra Magistrato
Molecular Basis of RNA-Driven ATP Hydrolysis in DExH-Box Helicases. Journal of the American Chemical Society (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Katarzyna Świderek, Susana Velasco-Lozano, Miquel À Galmés, Ion Olazabal, Haritz Sardón, Fernando López-Gallego, Vicent Moliner
Mechanistic studies of a lipase unveil effect of pH on hydrolysis products of small PET modules. Nature communications 14 (1) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling (2023)
Kemel Arafet, Santiago Royo, Tanja Schirmeister, Fabian Barthels, Florenci V González, Vicent Moliner
Impact of the Recognition Part of Dipeptidyl Nitroalkene Compounds on the Inhibition Mechanism of Cysteine Proteases Cruzain and Cathepsin L. ACS catalysis 13 (9) (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Miquel À Galmés, Alexander R Nödling, Kaining He, Louis Y P Luk, Katarzyna Świderek, Vicent Moliner
Computational design of an amidase by combining the best electrostatic features of two promiscuous hydrolases. Chemical science 13 (17) (2022)
Alexander R Nödling, Nicolo Santi, Raquel Castillo, Magdalena Lipka-Lloyd, Yi Jin, Louis C Morrill, Katarzyna Świderek, Vicent Moliner, Louis Y P Luk
The role of streptavidin and its variants in catalysis by biotinylated secondary amines. Organic & biomolecular chemistry 19 (47) (2021)
Sergio Boneta, Kemel Arafet, Vicent Moliner
QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate. Journal of chemical information and modeling 61 (6) (2021)
Svetlana A Kholodar, Janet S Finer-Moore, Katarzyna Świderek, Kemel Arafet, Vicent Moliner, Robert M Stroud, Amnon Kohen
Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog. Biochemistry 60 (16) (2021)
Kemel Arafet, Florenci V González, Vicent Moliner
Elucidating the Dual Mode of Action of Dipeptidyl Enoates in the Inhibition of Rhodesain Cysteine Proteases. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (39) (2021)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Unrevealing the Proteolytic Activity of RgpB Gingipain from Computational Simulations. Journal of chemical information and modeling 61 (9) (2021)
Sergio de la Hoz-Rodríguez, Kemel Arafet, Alessio Lodola, Adrian J Mulholland, Katarzyna Świderek, Vicent Moliner
Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 M pro Explored by QM/MM Simulations. ACS catalysis 12 (1) (2021)
Miquel À Galmés, Alexander R Nödling, Louis Y P Luk, Katarzyna Świderek, Vicent Moliner
Combined Theoretical and Experimental Study to Unravel the Differences in Promiscuous Amidase Activity of Two Nonhomologous Enzymes. ACS catalysis 11 (14) (2021)
Daria De Raffele, Sergio de la Hoz-Rodríguez, Vicent Moliner
A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody. Chemical communications (Cambridge, England) 57 (43) (2021)
Miquel A Galmés, Katarzyna Świderek, Vicent Moliner
Computational Studies Suggest Promiscuous Candida antarctica Lipase B as an Environmentally Friendly Alternative for the Production of Epoxides. Journal of chemical information and modeling 61 (7) (2021)
H T Henry Chan, Marc A Moesser, Rebecca K Walters, Tika R Malla, Rebecca M Twidale, Tobias John, Helen M Deeks, Tristan Johnston-Wood, Victor Mikhailov, Richard B Sessions, William Dawson, Eidarus Salah, Petra Lukacik, Claire Strain-Damerell, C David Owen, Takahito Nakajima, Katarzyna Świderek, Alessio Lodola, Vicent Moliner, David R Glowacki, James Spencer, Martin Austin Walsh, Christopher J Schofield, Luigi Genovese, Deborah K Shoemark, Adrian J Mulholland, Fernanda Duarte, Garrett M Morris
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding. Chemical science 12 (41) (2021)
Nicolo Santi, Louis C Morrill, Katarzyna Swiderek, Vicent Moliner, Louis Y P Luk
Transfer hydrogenations catalyzed by streptavidin-hosted secondary amine organocatalysts. Chemical communications (Cambridge, England) 57 (15) (2021)
Katarzyna Świderek, Vicent Moliner
Revealing the molecular mechanisms of proteolysis of SARS-CoV-2 Mpro by QM/MM computational methods. Chemical science 11 (39) (2020)
Susana Velasco-Lozano, Maite Roca, Alejandro Leal-Duaso, José A Mayoral, Elísabet Pires, Vicent Moliner, Fernando López-Gallego
Selective oxidation of alkyl and aryl glyceryl monoethers catalysed by an engineered and immobilised glycerol dehydrogenase. Chemical science 11 (44) (2020)
Kemel Arafet, Natalia Serrano-Aparicio, Alessio Lodola, Adrian J Mulholland, Florenci V González, Katarzyna Świderek, Vicent Moliner
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. Chemical science 12 (4) (2020)
Kemel Arafet, Florenci V González, Vicent Moliner
Quantum Mechanics/Molecular Mechanics Studies of the Mechanism of Cysteine Proteases Inhibition by Dipeptidyl Nitroalkenes. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (9) (2020)
Weiwu Ren, Marco Farren-Dai, Natalia Sannikova, Katarzyna Świderek, Yang Wang, Oluwafemi Akintola, Robert A Britton, Vicent Moliner, Andrew J Bennet
Glycoside hydrolase stabilization of transition state charge: new directions for inhibitor design. Chemical science 11 (38) (2020)
Weiwu Ren, Robert Pengelly, Marco Farren-Dai, Saeideh Shamsi Kazem Abadi, Verena Oehler, Oluwafemi Akintola, Jason Draper, Michael Meanwell, Saswati Chakladar, Katarzyna Świderek, Vicent Moliner, Robert Britton, Tracey M Gloster, Andrew J Bennet
Author Correction: Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nature communications 9 (1) (2018)
Maite Roca, Jose Javier Ruiz-Pernía, Raquel Castillo, Mónica Oliva, Vicent Moliner
Temperature dependence of dynamic, tunnelling and kinetic isotope effects in formate dehydrogenase. Physical chemistry chemical physics : PCCP 20 (40) (2018)
Alexander R Nödling, Katarzyna Świderek, Raquel Castillo, Jonathan W Hall, Antonio Angelastro, Louis C Morrill, Yi Jin, Yu-Hsuan Tsai, Vicent Moliner, Louis Y P Luk
Reactivity and Selectivity of Iminium Organocatalysis Improved by a Protein Host. Angewandte Chemie (International ed. in English) 57 (38) (2018)
Katarzyna Świderek, Iñaki Tuñón, Ian H Williams, Vicent Moliner
Insights on the Origin of Catalysis on Glycine N-Methyltransferase from Computational Modeling. Journal of the American Chemical Society 140 (12) (2018)
Weiwu Ren, Robert Pengelly, Marco Farren-Dai, Saeideh Shamsi Kazem Abadi, Verena Oehler, Oluwafemi Akintola, Jason Draper, Michael Meanwell, Saswati Chakladar, Katarzyna Świderek, Vicent Moliner, Robert Britton, Tracey M Gloster, Andrew J Bennet
Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nature communications 9 (1) (2018)
Katarzyna Świderek, Alexander R Nödling, Yu-Hsuan Tsai, Louis Y P Luk, Vicent Moliner
Reaction Mechanism of Organocatalytic Michael Addition of Nitromethane to Cinnamaldehyde: A Case Study on Catalyst Regeneration and Solvent Effects. The journal of physical chemistry. A 122 (1) (2018)
Svetlana A Kholodar, Ananda K Ghosh, Katarzyna Świderek, Vicent Moliner, Amnon Kohen
Parallel reaction pathways and noncovalent intermediates in thymidylate synthase revealed by experimental and computational tools. Proceedings of the National Academy of Sciences of the United States of America 115 (41) (2018)
Katarzyna Świderek, Iñaki Tuñón, Vicent Moliner, Joan Bertran
Revealing the Origin of the Efficiency of the De Novo Designed Kemp Eliminase HG-3.17 by Comparison with the Former Developed HG-3. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (31) (2017)
I Bordes, R Castillo, Vicent Moliner
Theoretical Study of the Phosphoryl Transfer Reaction from ATP to Dha Catalyzed by DhaK from Escherichia coli. The journal of physical chemistry. B 121 (38) (2017)
Katarzyna Świderek, Kemel Arafet, Amnon Kohen, Vicent Moliner
Benchmarking Quantum Mechanics/Molecular Mechanics (QM/MM) Methods on the Thymidylate Synthase-Catalyzed Hydride Transfer. Journal of chemical theory and computation 13 (3) (2017)
Agnieszka Krzemińska, Vicent Moliner, Katarzyna Świderek
Dynamic and Electrostatic Effects on the Reaction Catalyzed by HIV-1 Protease. Journal of the American Chemical Society 138 (50) (2016)
Jose Javier Ruiz-Pernía, Enas Behiry, Louis Y P Luk, Edric Joel Loveridge, Iñaki Tuñón, Vicent Moliner, Rudolf K Allemann
Minimization of dynamic effects in the evolution of dihydrofolate reductase. Chemical science 7 (5) (2016)

Vicent Moliner.css-eqlu8i{font-size:small;padding-left:4px;} (V Moliner)

Publication Activity (10 Years)

Top Topics

Top Venues

Vicent Moliner (V Moliner)