Works by Lluch, José
Results: 63
A Comparative Study on the Photochemistry of Two Bipyridyl Derivatives: [2,2′-Bipyridyl]-3,3′-diamine and [2,2′-Bipyridyl]-3,3′-diol.
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- ChemPhysChem, 2007, v. 8, n. 8, p. 1199, doi. 10.1002/cphc.200600771
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- Article
Kinetic Study on the Reaction of OH Radical with Dimethyl Sulfide in the Absence of Oxygen.
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- ChemPhysChem, 2007, v. 8, n. 2, p. 255, doi. 10.1002/cphc.200600398
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- Article
Pressure Dependence in the Methyl Vinyl Ketone+OH and Methacrolein+OH Oxidation Reactions: An Electronic Structure Study.
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- ChemPhysChem, 2005, v. 6, n. 8, p. 1567, doi. 10.1002/cphc.200500115
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- Article
Quantum Dynamics Study of the Excited-State Double-Proton Transfer in 2,2′-Bipyridyl-3,3′-diol.
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- ChemPhysChem, 2004, v. 5, n. 9, p. 1372, doi. 10.1002/cphc.200400078
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- Article
Three‐Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo.
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- Angewandte Chemie, 2023, v. 135, n. 51, p. 1, doi. 10.1002/ange.202311181
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- Publication type:
- Article
Is Regioselectivity in the Enzyme-Catalyzed Hydroperoxidation of Arachidonic Acid Necessarily Determined by Hydrogen Abstraction? The Case of Rabbit Leu597Ala/Ile663Ala ALOX15 Mutant.
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- ChemPhysChem, 2016, v. 17, n. 20, p. 3321, doi. 10.1002/cphc.201600534
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- Article
The Quest for Photoswitches Activated by Near-Infrared Light: A Theoretical Study of the Photochemistry of BF<sub>2</sub>-Coordinated Azo Derivatives.
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- ChemPhysChem, 2016, v. 17, n. 18, p. 2824, doi. 10.1002/cphc.201600543
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- Article
Theoretical Computer-Aided Mutagenic Study on the Triple Green Fluorescent Protein Mutant S65T/H148D/Y145F.
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- ChemPhysChem, 2015, v. 16, n. 10, p. 2134, doi. 10.1002/cphc.201500158
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- Article
Introducing Mutations to Modify the C13/C9 Ratio in Linoleic Acid Oxygenations Catalyzed by Rabbit 15-Lipoxygenase: A QM/MM and MD Study.
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- ChemPhysChem, 2014, v. 15, n. 18, p. 4049, doi. 10.1002/cphc.201402471
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- Article
Regio- and Stereospecificity in the Oxygenation of Arachidonic Acid Catalyzed by Leu597 Mutants of Rabbit 15-Lipoxygenase: A QM/MM Study.
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- ChemPhysChem, 2014, v. 15, n. 11, p. 2303, doi. 10.1002/cphc.201402045
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- Article
On the Regio- and Stereospecificity of Arachidonic Acid Peroxidation Catalyzed by Mammalian 15-Lypoxygenases: A Combined Molecular Dynamics and QM/MM.
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- ChemPhysChem, 2013, v. 14, n. 16, p. 3777, doi. 10.1002/cphc.201300629
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- Article
Modulating the Photochemistry of Bipyridylic Compounds by Symmetric Substitutions.
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- ChemPhysChem, 2010, v. 11, n. 17, p. 3696, doi. 10.1002/cphc.201000596
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- Article
Study of the Photochemical Properties and Conical Intersections of [2,2′-Bipyridyl]-3-amine-3′-ol.
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- ChemPhysChem, 2008, v. 9, n. 14, p. 2068, doi. 10.1002/cphc.200800322
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- Article
A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 2, p. 1, doi. 10.1007/s00214-012-1327-3
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- Article
A variational transition state theory description of periselectivity effects on cycloadditions of ketenes with cyclopentadiene.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 128, n. 4-6, p. 569, doi. 10.1007/s00214-010-0792-9
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- Article
Benchmark calculations on models of the phosphoryl transfer reaction catalyzed by protein kinase A.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 124, n. 3/4, p. 197, doi. 10.1007/s00214-009-0600-6
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- Article
Formation pathways of CH<sub>3</sub>SOH from CH<sub>3</sub>S(OH)CH<sub>3</sub> in the presence of O<sub>2</sub>: a theoretical study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 1/2, p. 93, doi. 10.1007/s00214-009-0547-7
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- Article
The 65th birthday of Professor Santiago Olivella Nello.
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- 2009
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- Editorial
Pancreatic panniculitis revisited: A series of 34 patients.
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- Journal of Cutaneous Pathology, 2023, v. 50, n. 11, p. 983, doi. 10.1111/cup.14515
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- Article
Low frequency of recurrent BRCA1 and BRCA2 mutations in Spain.
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- Human Mutation, 2002, v. 19, n. 3, p. 307, doi. 10.1002/humu.9014
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- Article
A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 11, p. 1077, doi. 10.1007/s10822-014-9786-3
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- Publication type:
- Article
Rationally designed azobenzene photoswitches for efficient two-photon neuronal excitation.
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- Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-08796-9
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- Publication type:
- Article
Three‐Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo.
- Published in:
- Angewandte Chemie International Edition, 2023, v. 62, n. 51, p. 1, doi. 10.1002/anie.202311181
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- Publication type:
- Article
Theoretical Study of the Effect of Lewis Acids on Dihydrogen Elimination from Niobocene Trihydrides.
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- Chemistry - A European Journal, 1999, v. 5, n. 4, p. 1166, doi. 10.1002/(SICI)1521-3765(19990401)5:4<1166::AID-CHEM1166>3.0.CO;2-4
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- Publication type:
- Article
Safety of biologic therapy in combination with methotrexate in moderate to severe psoriasis: a cohort study from the BIOBADADERM registry.
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- British Journal of Dermatology, 2024, v. 190, n. 3, p. 355, doi. 10.1093/bjd/ljad382
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- Article
Kinetic isotope effects in chemical and biochemical reactions: physical basis and theoretical methods of calculation.
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- WIREs: Computational Molecular Science, 2016, v. 6, n. 5, p. 584, doi. 10.1002/wcms.1268
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- Article
Variational transition-state theory study of the rate constant of the DMS·OH scavenging reaction by O<sub>2</sub>.
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- Journal of Computational Chemistry, 2011, v. 32, n. 10, p. 2104, doi. 10.1002/jcc.21793
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- Article
Formation pathways of DMSO<sub>2</sub> in the addition channel of the OH-initiated DMS oxidation: A theoretical study.
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- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1477, doi. 10.1002/jcc.21168
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- Article
Formation pathways of DMSO from DMS-OH in the presence of O<sub>2</sub> and NO<sub>x</sub>: A theoretical study.
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- Journal of Computational Chemistry, 2009, v. 30, n. 2, p. 173, doi. 10.1002/jcc.21049
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- Article
A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase-1.
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- Journal of Computational Chemistry, 2007, v. 28, n. 6, p. 997, doi. 10.1002/jcc.20609
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- Article
Electronic structure study of the initiation routes of the dimethyl sulfide oxidation by OH.
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- Journal of Computational Chemistry, 2005, v. 26, n. 6, p. 569, doi. 10.1002/jcc.20190
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- Article
Testing Electronic Structure Methods for Describing Intermolecular H · · · H Interactions in Supramolecular Chemistry.
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- Journal of Computational Chemistry, 2004, v. 25, n. 1, p. 99, doi. 10.1002/jcc.10371
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- Article
Functional Characterization of Mouse and Human Arachidonic Acid Lipoxygenase 15B (ALOX15B) Orthologs and of Their Mutants Exhibiting Humanized and Murinized Reaction Specificities.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 12, p. 10046, doi. 10.3390/ijms241210046
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- Article
Hydroperoxidation of Docosahexaenoic Acid by Human ALOX12 and pigALOX15-mini-LOX.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 7, p. 6064, doi. 10.3390/ijms24076064
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- Article
Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 1, p. 25, doi. 10.3390/ijms24010025
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- Article
On the Computational Design of Azobenzene-Based Multi-State Photoswitches.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 15, p. 8690, doi. 10.3390/ijms23158690
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- Article
Theoretical Characterization of the Step-by-Step Mechanism of Conversion of Leukotriene A 4 to Leukotriene B 4 Catalysed by the Enzyme Leukotriene A 4 Hydrolase.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 6, p. 3140, doi. 10.3390/ijms23063140
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- Article
Different Structures—Similar Effect: Do Substituted 5-(4-Methoxyphenyl)-1 H -indoles and 5-(4-Methoxyphenyl)-1 H -imidazoles Represent a Common Pharmacophore for Substrate Selective Inhibition of Linoleate Oxygenase Activity of ALOX15?
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- Molecules, 2023, v. 28, n. 14, p. 5418, doi. 10.3390/molecules28145418
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- Publication type:
- Article
Dihydrogen Formation in a Trihydride Metallocene and Its Elimination, Both Assisted by Lewis Acids: The [Cp<sub>2</sub>NbH<sub>3</sub>]+BH<sub>3</sub> System.
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- Angewandte Chemie International Edition, 1997, v. 36, n. 3, p. 265, doi. 10.1002/anie.199702651
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- Article
Molecular mechanisms behind the resistance of cisplatin in germ cell tumours.
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- Clinical & Translational Oncology, 2009, v. 11, n. 12, p. 780, doi. 10.1007/s12094-009-0446-3
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- Article
Mutagenesis of Sequence Determinants of Truncated Porcine ALOX15 Induces Changes in the Reaction Specificity by Altering the Catalytic Mechanism of Initial Hydrogen Abstraction.
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- Chemistry - A European Journal, 2018, v. 24, n. 4, p. 962, doi. 10.1002/chem.201704672
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- Article
Breaking Bad News in Bolivia.
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- Oncologist, 2015, v. 20, n. 2, p. 1, doi. 10.1634/theoncologist.2014-0396
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- Publication type:
- Article
Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
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- Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-09691-z
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- Article
Geometry optimization and transition state search in enzymes: Different options in the microiterative method.
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- International Journal of Quantum Chemistry, 2004, v. 98, n. 4, p. 367, doi. 10.1002/qua.20072
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- Article
Determination of enzymatic reaction pathways using QM/MM methods.
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- International Journal of Quantum Chemistry, 2003, v. 93, n. 3, p. 229, doi. 10.1002/qua.10555
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- Article
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
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- Angewandte Chemie, 2015, v. 127, n. 34, p. 10036, doi. 10.1002/ange.201504617
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- Publication type:
- Article
Substrate binding to mammalian 15-lipoxygenase.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 825, doi. 10.1007/s10822-011-9466-5
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- Article
Comparative study of the prereactive protein kinase A Michaelis complex with Kemptide substrate.
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- Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 10/11, p. 603, doi. 10.1007/s10822-007-9143-x
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- Publication type:
- Article
Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: A key to allosteric behavior of this class of enzymes?
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- Proteins, 2012, v. 80, n. 3, p. 703, doi. 10.1002/prot.23227
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- Article
Refraktärer IgA‐Pemphigus erfolgreich mit Adalimumab als Monotherapie behandelt.
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- Journal der Deutschen Dermatologischen Gesellschaft, 2023, v. 21, n. 12, p. 1560, doi. 10.1111/ddg.15232_g
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- Publication type:
- Article