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Chemistry

D-Index
43
Citations
7406
World Ranking
17166
National Ranking
700

Overview

José M. Lluch is affiliated with the Autonomous University of Barcelona in Spain. Their research primarily spans the fields of Biochemistry, Genetics and Molecular Biology, and Chemistry, with significant work within several subfields including Molecular Biology, Organic Chemistry, Materials Chemistry, Cellular and Molecular Neuroscience, and Toxicology.

The scientist's research topics cover a diverse range of areas such as Photoreceptor and Optogenetics Research, Bioactive Compounds and Antitumor Agents, Photochromic and Fluorescence Chemistry, Synthesis and Biological Evaluation, Retinal Development and Disorders, Eicosanoids and Hypertension Pharmacology, and Computational Drug Discovery Methods.

José M. Lluch has published in a number of scientific venues, most frequently in the International Journal of Molecular Sciences, with six publications. Other recurrent venues include Physical Chemistry Chemical Physics and ACS Omega, each with two papers, as well as RSC Advances and Angewandte Chemie International Edition.

Some of the recent papers authored or co-authored by José M. Lluch include:

  • Three-Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo, 2023, Angewandte Chemie International Edition
  • N-Substituted 5-(1H-Indol-2-yl)-2-methoxyanilines Are Allosteric Inhibitors of the Linoleate Oxygenase Activity of Selected Mammalian ALOX15 Orthologs: Mechanism of Action, 2022, Journal of Medicinal Chemistry
  • The role of acetylated cyclooxygenase-2 in the biosynthesis of resolvin precursors derived from eicosapentaenoic acid, 2022, Organic & Biomolecular Chemistry
  • Conformational Heterogeneity and Cooperative Effects of Mammalian ALOX15, 2021, International Journal of Molecular Sciences
  • Accounting for the instantaneous disorder in the enzyme-substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction, 2021, Physical Chemistry Chemical Physics

The scientist frequently collaborates with several co-authors, among whom are Àngels González-Lafont with 16 joint publications, Alejandro Cruz with 8, Hartmut Kühn with 6, Ricard Gelabert with 5, and Miquel Moreno with 5.

Best Publications

  • Theoretical Study of the Low-Barrier Hydrogen Bond in the Hydrogen Maleate Anion in the Gas Phase. Comparison with Normal Hydrogen Bonds

    Mireia Garcia-Viloca;and Angels González-Lafont;José M. Lluch

  • Elongated dihydrogen complexes: what remains of the H–H Bond?

    D. Michael Heinekey;Agustí Lledós;José M. Lluch

  • The use of quantum mechanics calculations for the study of corrosion inhibitors

    J.M. Costa;J.M. Lluch

  • Tunneling in green tea: understanding the antioxidant activity of catechol-containing compounds. A variational transition-state theory study.

    Ismael Tejero;Núria Gonzalez-García;Angels Gonzalez-Lafont;José M Lluch

  • Retaining glycosyltransferase mechanism studied by QM/MM methods: Lipopolysaccharyl-α-1,4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition state

    Hansel Gómez;Iakov Polyak;Walter Thiel;José M. Lluch

  • Rationally designed azobenzene photoswitches for efficient two-photon neuronal excitation

    Gisela Cabré;Aida Garrido-Charles;Miquel Moreno;Miquel Bosch

  • Electronic-structure and quantum dynamical study of the photochromism of the aromatic Schiff base salicylideneaniline

    Juan Manuel Ortiz-Sánchez;Ricard Gelabert;Miquel Moreno;José M. Lluch

  • H-Atom Transfer and Rotational Processes in the Ground and First Singlet Excited Electronic States of 2-(2‘-Hydroxyphenyl)oxazole Derivatives: Experimental and Theoretical Studies†

    Víctor Guallar;Miquel Moreno;José M. Lluch;§ and Francisco Amat-Guerri

  • Bidimensional tunneling dynamics of malonaldehyde and hydrogenoxalate anion. A comparative study

    Enric Bosch;Miquel Moreno;José M. Lluch;Juan Bertrán

  • DNA Mutations Induced by Proton and Charge Transfer in the Low-Lying Excited Singlet Electronic States of the DNA Base Pairs: A Theoretical Insight

    Víctor Guallar;Abderrazzak Douhal;Miquel Moreno, ,† and;José M. Lluch

  • Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations.

    Oriol Vendrell;Ricard Gelabert;Miquel Moreno;José M. Lluch

  • Theoretical study of molecular dynamics in model base pairs

    Abderrazzak Douhal;Victor Guallar;Miquel Moreno;Jose Maria Lluch

  • Synthesis and Properties of Compressed Dihydride Complexes of Iridium: Theoretical and Spectroscopic Investigations

    Ricard Gelabert;Miquel Moreno;José M Lluch;Agustí Lledós

  • Photoinduced Proton Transfer and Rotational Motion of 1-Hydroxy-2-acetonaphthone in the S1 State: A Theoretical Insight into Its Photophysics

    Juan Angel Organero;Miquel Moreno;Lucía Santos;José Maria Lluch

  • Ab Initio Based Exploration of the Potential Energy Surface for the Double Proton Transfer in the First Excited Singlet Electronic State of the 7-Azaindole Dimer

    Miguel Moreno;Abderrazzak Douhal;José M. Lluch;and Obis Castaño

  • Elongated Dihydrogen Complexes: A Combined Electronic DFT + Nuclear Dynamics Study of the [Ru(H···H)(C5H5)(H2PCH2PH2)]+ Complex

    Ricard Gelabert;Miquel Moreno;José M. Lluch;Agustí Lledós

  • A theoretical study of the ground and first excited singlet state proton transfer reaction in isolated 7-azaindole–water complexes

    Ricard Casadesús;Miquel Moreno;José M. Lluch

  • Bidimensional tunneling splitting in the à 1B2 and X̃ 1A1 states of tropolone

    Juan J. Paz;Miquel Moreno;José M. Lluch

  • Asymmetry of the Hydrogen Bond of Hydrogen Phthalate Anion in Solution. A QM/MM Study

    Mireia Garcia-Viloca;and Àngels González-Lafont;José M. Lluch

  • Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation.

    Oriol Vendrell;Ricard Gelabert;Miquel Moreno;José M. Lluch

Frequent Co-Authors

Juan Bertrán
Juan Bertrán Royal Military College of Canada
Agustí Lledós
Agustí Lledós Autonomous University of Barcelona
Abderrazzak Douhal
Abderrazzak Douhal University of Castilla-La Mancha
Mariona Sodupe
Mariona Sodupe Autonomous University of Barcelona
Hartmut Kühn
Hartmut Kühn Charité - University Medicine Berlin
Victor Guallar
Victor Guallar Barcelona Supercomputing Center
Feliu Maseras
Feliu Maseras Institut Català d'Investigació Química
Donald G. Truhlar
Donald G. Truhlar University of Minnesota
Leif A. Eriksson
Leif A. Eriksson University of Gothenburg
Josep M. Anglada
Josep M. Anglada Spanish National Research Council

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