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QD Tailing Data
(2016) -
QGIS aplicado a la catalogación arquitectónica. Conceptos introductorios
Publicacions de la Universitat Jaume I (2021) -
QM/MM Calculations Suggest a Novel Intermediate Following the Proton Abstraction Catalyzed by Thymidylate Synthase
American Chemical Society (2013-03-07)The cleavage of covalent C–H bonds is one of the most energetically demanding, yet biologically essential, chemical transformations. Two C–H bond cleavages are involved in the reaction catalyzed by thymidylate synthase ... -
QM/MM kinetic isotope effects for chloromethane hydrolysis in water
John Wiley & Sons (2013)Computational simulations for chloromethane hydrolysis have been performed using hybrid quantum-mechanical/molecular-mechanical methods with explicit solvation by large numbers of water molecules. In the first part of the ... -
QM/MM modeling of the hydroxylation of the androstenedione substrate catalyzed by cytochrome P450 aromatase (CYP19A1)
Wiley (2015-09)CYP19A1 aromatase is a member of the Cytochrome P450 family of hemeproteins, and is the enzyme responsible for the final step of the androgens conversion into the corresponding estrogens, via a three-step oxidative process. ... -
QM/MM simulations for methyl transfer in solution and catalysed by COMT: ensemble-averaging of kinetic isotope effects
Royal Society of Chemistry (2008)Sampling of structures from QM/MM molecular dynamics reveals distinct families of reactant-state conformers and yields kinetic isotope effects for reactions in enzyme active sites and in solution, averaged over thermal ... -
QM/MM studies of autolysis acylation step of 20S Proteasome
Universitat Jaume I (2017-11-30) -
QM/MM Study of L-Lactate Oxidation by Flavocytochrome b2
Royal Society of Chemistry (2016-05-18)In this work, we have performed molecular dynamics simulations using a hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) scheme to study the mechanism of L-lactate oxidation by flavocytochrome b2 (Fcb2). Our results ... -
QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate
American Chemical Society (2021-06-04)The environmental problems derived from the generalized plastic consumption and disposal could find a friendly solution in enzymatic biodegradation. Recently, two hydrolases from Ideonella sakaiensis 201-F6 and the ... -
QM/MM study of thymidylate synthase: enzymatic motions and the temperature dependence of the rate limiting step
American Chemical Society (2009)Thymidylate synthase (TS) is an enzyme that catalyzes a complex cascade of reactions. A theoretical study of the reduction of an exocyclic methylene intermediate by hydride transfer from the 6S position of 5,6,7,8-tetrahydrofolate ... -
QM/MM Theoretical Studies of a de Novo Retro-Aldolase Design
American Chemical Society (2019)The design of innovative enzymes is a standing goal to obtain original specific catalysts to work under mild conditions of temperature and pressure. Attempts to get artificial enzymes become particularly difficult when the ... -
QMCube (QM3): An all‐purpose suite for multiscale QM/MM calculations
Wiley (2020-12-18)QMCube (QM3) is a suite written in the Python programming language, initially focused on multiscale QM/MM simulations of biological systems, but open enough to address other kinds of problems. It allows the user to combine ... -
QOptCraft: A Python package for the design and study of linear optical quantum systems
Elsevier (2022-08-29)The manipulation of the quantum states of light in linear optical systems has multiple applications in quantum optics and quantum computation. The package QOptCraft gives a collection of methods to solve some of the most ... -
Quadern de fotografies
Agrupació Borrianenca de Cultura (2001) -
Quadern de la por
Universitat Jaume I. Institut Universitari d’Investigació Feminista i de gènere (1995) -
Quadern de treball: Apuntat al bon rotllo
Fundación Isonomía. Universitat Jaume I (2012) -
Quadern d’Igualtat en ruta
Fundación Isonomía. Universitat Jaume I (2013) -
Quadern reflexiu. Orientacions per a la tutorització en el Pràcticum
Universitat Jaume I (2023) -
Quaderns de Prehistòria i Arqueologia de Castelló, Volum 32 (2014)
Diputació de Castelló: Servei d'Investigacions Arqueològiques i Prehistòriques (2014) -
Quaderns de Prehistòria i Arqueologia de Castelló, Volum 33 (2015)
Diputació de Castelló: Servei d'Investigacions Arqueològiques i Prehistòriques (2015)