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pro vyhledávání: '"Elisabeth Ortega"'
EasyBuild is a community effort to develop a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way. As its name suggests, EasyBuild makes software ins
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::213ad8b7a8133c3df0b56d278b5df7c0
https://doi.org/10.37044/osf.io/vn4dx
https://doi.org/10.37044/osf.io/vn4dx
Autor:
Roberto Romero-González, Rosalía López-Ruiz, Antonia Garrido Frenich, Elisabeth Ortega-Carrasco
Publikováno v:
Journal of the science of food and agricultureREFERENCES. 99(12)
BACKGROUND Famoxadone is a pesticide that is used to control fungal diseases and its dissipation in vegetables should be monitored. For that purpose, liquid chromatography coupled to mass spectrometry has been used. RESULTS The dissipation of famoxad
Autor:
Rosalía López-Ruiz, José Luis Martínez Vidal, Elisabeth Ortega-Carrasco, Antonia Garrido Frenich, Roberto Romero-González
Publikováno v:
Pest management scienceREFERENCES. 76(2)
Degradation of dimethachlor was evaluated in soils and water, detecting metabolites in incurred samples. Putative elucidation was performed using HRMS and software tools, detecting new possible metabolites of dimethachlor.The analytical control of th
Autor:
Jean-Didier Maréchal, Fernando P. Cossío, Agustí Lledós, Abel de Cózar, Elisabeth Ortega-Carrasco, Eider San Sebastian, Olatz Larrañaga, F. Matthias Bickelhaupt
Publikováno v:
ChemPhysChem, 17(23), 3932-3947. Wiley-VCH Verlag
de Cozar, A, Larranaga, O, Bickelhaupt, F M, Sebastian, E S, Ortega-Carrasco, E, Marechal, J-D, Lledos, A & Cossio, F P 2016, ' New Insights into the Reactivity of Cisplatin with Free and Restrained Nucleophiles: Microsolvation Effects and Base Selectivity in Cisplatin-DNA Interactions ', ChemPhysChem, vol. 17, no. 23, pp. 3932-3947 . https://doi.org/10.1002/cphc.201600982
de Cozar, A, Larranaga, O, Bickelhaupt, F M, Sebastian, E S, Ortega-Carrasco, E, Marechal, J-D, Lledos, A & Cossio, F P 2016, ' New Insights into the Reactivity of Cisplatin with Free and Restrained Nucleophiles: Microsolvation Effects and Base Selectivity in Cisplatin-DNA Interactions ', ChemPhysChem, vol. 17, no. 23, pp. 3932-3947 . https://doi.org/10.1002/cphc.201600982
The reactivity of cisplatin towards different nucleophiles has been studied by using density functional theory (DFT). Water was considered first to analyze the factors that govern the transformation of cisplatin into more electrophilic aquated specie
Autor:
Jaime Rodríguez-Guerra, Lur Alonso-Cotchico, Agustí Lledós, Elisabeth Ortega-Carrasco, Victor Muñoz Robles, Jean-Didier Maréchal
Publikováno v:
ACS Catalysis. 5:2469-2480
The development of artificial enzymes aims at expanding the scope of biocatalysis. Over recent years, artificial metalloenzymes based on the insertion of homogeneous catalysts in biomolecules have received an increasing amount of attention. Rational
Publikováno v:
Journal of Inorganic Biochemistry. 117:230-236
In the organism, cisplatin binds to numerous proteins. These interactions can ultimately lead to the emergence of resistance and side effects. Little is known on these recognition processes with only few crystallographic structures of cisplatinated p
Autor:
Roberto Berardozzi, Ilaria Gamba, M. Eugenio Vázquez, Jean-Didier Maréchal, Gustavo Rama, Miguel Vázquez López, Lorenzo Di Bari, Víctor M. Sánchez-Pedregal, Elisabeth Ortega-Carrasco
Publikováno v:
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname
instname
We have applied solid-phase synthesis methods for the construction of tris(bipyridyl) peptidic ligands that coordinate Fe(II) ions with high affinity and fold into stable mononuclear metallopeptides. The main factors influencing the folding pathway a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f1b326506b0317f8669888bd039b87b2
http://hdl.handle.net/10347/17022
http://hdl.handle.net/10347/17022
Publikováno v:
Journal of the Royal Society, Interface. 11(96)
In recent years, the design of artificial metalloenzymes obtained by the insertion of homogeneous catalysts into biological macromolecules has become a major field of research. These hybrids, and the corresponding X-ray structures of several of them,
Publikováno v:
Journal of computational chemistry. 35(3)
Organometallic compounds are increasingly used as molecular scaffolds in drug development projects; their structural and electronic properties offering novel opportunities in protein-ligand complementarities. Interestingly, while protein-ligand docki
Autor:
Elisabeth Ortega-Carrasco, Agustí Lledós, Jean-Didier Maréchal, Victor Muñoz Robles, Eric González Fuentes
Publikováno v:
Faraday discussions. 148
In recent years, the development of synthetic metalloenzymes based on the insertion of inorganic catalysts into biological macromolecules has become a vivid field of investigation. The success of the design of these composites is highly dependent on