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Showing results 23 to 38 of 38
Issue DateTitleAuthor(s)
2009Molecular dynamics and quantum mechanical calculations on the mononuclear zinc-ß-lactamase from Bacillus cereus: Protonation state of the active site and imipenem bindingSuárez Rodríguez, Dimas; Suárez Álvarez, Ernesto; Díaz Fernández, Natalia
2008Molecular dynamics simulations of the active matrix metalloproteinase-2: Positioning of the N-terminal fragment and binding of a small peptide substrateDíaz Fernández, Natalia; Suárez Rodríguez, Dimas
2017Molecular dynamics studies of matrix metalloproteasesDíaz Fernández, Natalia; Suárez Rodríguez, Dimas
2015Molecular Modeling of Bioorganometallic Compounds: Thermodynamic Properties of Molybdocene-Glutathione Complexes and Mechanism of Peptide HydrolysisSuárez Rodríguez, Dimas; Díaz Fernández, Natalia
2008Monoligand Zn(II) complexes: Ab initio benchmark calculations and comparison with density functional theory methodologiesRayón Rico, Víctor Manuel; Valdés González, Haydee; Díaz Fernández, Natalia; Suárez Rodríguez, Dimas
2008Peptide hydrolysis catalyzed by matrix metalloproteinase 2: A computational studyDíaz Fernández, Natalia; Suárez Rodríguez, Dimas
2013Progress towards water-soluble triazole-based selective MMP-2 inhibitorsFabre, Benjamin; Filipiak, Kamila; Zapico, José María; Díaz Fernández, Natalia; Carbajo Martínez, Rodrigo José; Schott, Anne K.; Martínez Alcázar, María Paz; Suárez Rodríguez, Dimas; Pineda Lucena, Antonio; Ramos, Ana; Pascual Teresa, Beatriz de
2011Quantum chemical calculations of stability constants: study of ligand effects on the relative stability of Pd(II)-peptide complexesTilvez Marrugo, Elkin Alberto; Díaz Fernández, Natalia; Menéndez Rodríguez, María Isabel; Suárez Rodríguez, Dimas; López Rodríguez, Ramón
2008Ring opening at N1-C2 bond of azetidin-2-ones by a molybdenum hydroxo-carbonyl complex: evidence from a computational studyYeguas García, Violeta; Díaz Fernández, Natalia; Campomanes Ramos, Pablo; López Rodríguez, Ramón
2016Role of the Protonation State on the Structure and Dynamics of AlbuminDíaz Fernández, Natalia; Suárez Rodríguez, Dimas
2014Sampling Assessment for Molecular Simulations Using Conformational Entropy CalculationsSuárez Rodríguez, Dimas; Díaz Fernández, Natalia
2010Strong in vitro activities of two new rifabutin analogs against multidrug-resistant Mycobacterium tuberculosisGarcía Delgado, Ana Belén; Palacios Gutiérrez, Juan José; Ruiz, María Jesús; Barluenga Mur, José; Aznar Gómez, Fernando; Cabal Naves, Carmen María de la Paz; García, José María; Díaz Fernández, Natalia
2009Thermochemical fragment energy method for biomolecules: Application to a collagen model peptideSuárez Álvarez, Ernesto; Díaz Fernández, Natalia; Suárez Rodríguez, Dimas
2010Understanding Regioselective Cleavage in Peptide Hydrolysis by a Palladium(II) Aqua Complex: A Theoretical Point of ViewYeguas García, Violeta; Campomanes Ramos, Pablo; López Rodríguez, Ramón; Díaz Fernández, Natalia; Suárez Rodríguez, Dimas
2016Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulationsSouza, Raoni Almeida de; Díaz Fernández, Natalia; Nagem, R. A. P.; Salgado Ferreira, Rafaela; Suárez Rodríguez, Dimas
2013Unraveling the Molecular Structure of the Catalytic Domain of Matrix Metalloproteinase-2 in Complex with a Triple-Helical Peptide by Means of Molecular Dynamics SimulationsDíaz Fernández, Natalia; Suárez Rodríguez, Dimas; Valdés González, Haydee
Showing results 23 to 38 of 38


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