Publications by authors named "Silvia Ferrer"

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Early structural brain abnormalities in borderline personality disorder.
Pilar Salgado-Pineda, Marc Ferrer, Natalia Calvo, Xavier Costa, Josep-Antoni Ramos-Quiroga, Silvia Ferrer

Psychol Med· October 2025

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The evolutionary history of the ancient weevil family Belidae (Coleoptera: Curculionoidea) reveals the marks of Gondwana breakup and major floristic turnovers, including the rise of angiosperms.
Xuankun Li, Adriana E Marvaldi, Rolf G Oberprieler, Dave Clarke, Brian D Farrell, M Silvia Ferrer

Elife· December 2024

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Electrostatic Preorganization in Three Distinct Heterogeneous Proteasome β-Subunits.
Silvia Ferrer, Vicent Moliner, Katarzyna Świderek

ACS Catal· October 2024

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Covalent Inhibition of the 20S Proteasome with Homobelactosin C Inquired by QM/MM Studies.
Natalia Serrano-Aparicio, Silvia Ferrer, Katarzyna Świderek

Pharmaceuticals (Basel)· April 2022

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Urinary Proteome Analysis Identified Neprilysin and VCAM as Proteins Involved in Diabetic Nephropathy.
Elena Guillén-Gómez, Beatriz Bardají-de-Quixano, Sílvia Ferrer, Carlos Brotons, Mark A Knepper

J Diabetes Res· October 2018

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Quantum mechanics/molecular mechanics studies of the mechanism of cysteine protease inhibition by peptidyl-2,3-epoxyketones.
Kemel Arafet, Silvia Ferrer, Florenci V González, Vicent Moliner

Phys Chem Chem Phys· May 2017

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First quantum mechanics/molecular mechanics studies of the inhibition mechanism of cruzain by peptidyl halomethyl ketones.
Kemel Arafet, Silvia Ferrer, Vicent Moliner

Biochemistry· June 2015

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Quantum mechanics/molecular mechanics studies of the mechanism of falcipain-2 inhibition by the epoxysuccinate E64.
Kemel Arafet, Silvia Ferrer, Sergio Martí, Vicent Moliner

Biochemistry· May 2014

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Investigation of the hydroxylation mechanism of noncoupled copper oxygenases by ab initio molecular dynamics simulations.
Conchín Meliá, Silvia Ferrer, Jan Řezáč, Olivier Parisel, Olivia Reinaud

Chemistry· December 2013

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QM/MM calculations suggest a novel intermediate following the proton abstraction catalyzed by thymidylate synthase.
Zhen Wang, Silvia Ferrer, Vicent Moliner, Amnon Kohen

Biochemistry· April 2013

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Computational study on hydrolysis of cefotaxime in gas phase and in aqueous solution.
Conchín Meliá, Silvia Ferrer, Vicent Moliner, Iñaki Tuñón, Juan Bertrán

J Comput Chem· September 2012

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Understanding the different activities of highly promiscuous MbtI by computational methods.
Silvia Ferrer, Sergio Martí, Vicent Moliner, Iñaki Tuñón, Juan Bertrán

Phys Chem Chem Phys· March 2012

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Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectives.
Silvia Ferrer, Javier Ruiz-Pernía, Sergio Martí, Vicent Moliner, Iñaki Tuñón

Adv Protein Chem Struct Biol· February 2012

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Temperature dependence of the kinetic isotope effects in thymidylate synthase. A theoretical study.
Natalia Kanaan, Silvia Ferrer, Sergio Martí, Mireia Garcia-Viloca, Amnon Kohen

J Am Chem Soc· May 2011

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Dynamic correlation networks in human peroxisome proliferator-activated receptor-γ nuclear receptor protein.
Jeremy Fidelak, Silvia Ferrer, Michael Oberlin, Dino Moras, Annick Dejaegere

Eur Biophys J· October 2010

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Radiation effects in interventional radiology using biological and physical dosimetry methods: a case-control study.
Miguel Ramos, Alegria Montoro, Miguel Almonacid, Silvia Ferrer, Joan Francesc Barquinero

Annu Int Conf IEEE Eng Med Biol Soc· April 2009

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Theoretical Modeling on the Reaction Mechanism of p-Nitrophenylmethylphosphate Alkaline Hydrolysis and its Kinetic Isotope Effects.
Violeta López-Canut, Javier Ruiz-Pernía, Iñaki Tuñón, Silvia Ferrer, Vicent Moliner

J Chem Theory Comput· March 2009

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Theoretical site-directed mutagenesis: Asp168Ala mutant of lactate dehydrogenase.
Silvia Ferrer, Iñaki Tuñón, Vicent Moliner, Ian H Williams

J R Soc Interface· December 2008

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A theoretical analysis of rate constants and kinetic isotope effects corresponding to different reactant valleys in lactate dehydrogenase.
Silvia Ferrer, Iñaki Tuñón, Sergio Martí, Vicente Moliner, Mireia Garcia-Viloca

J Am Chem Soc· December 2006

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Dependence of enzyme reaction mechanism on protonation state of titratable residues and QM level description: lactate dehydrogenase.
Silvia Ferrer, Estanislao Silla, Iñaki Tuñón, Mónica Oliva, Vicent Moliner

Chem Commun (Camb)· December 2005

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A QM/MM Exploration of the Potential Energy Surface of Pyruvate to Lactate Transformation Catalyzed by LDH. Improving the Accuracy of Semiempirical Descriptions.
Silvia Ferrer, J Javier Ruiz-Pernía, Iñaki Tuñón, Vicente Moliner, Mireia Garcia-Viloca

J Chem Theory Comput· July 2005

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