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Simulaciones de dinámica molecular no adiabática en estados excitados usando métodos cuánticos directos
(Universidad Nacional de Quilmes, 2020-12-16)
En esta tesis nos hemos propuesto el desarrollo e implementación de la técnica de muestreo AIMC para MCE para simulación de la fotoexcitación y subsiguiente relajación electrónica y vibracional de moléculas conjugadas ...
A novel set of ss-N-biaryl ether sulfonamide hydroxamates as potential MMPs inhibitors: Molecular dynamics simulations and molecular properties evaluation
(WILEY-BLACKWELLHOBOKEN, 2013-08-02)
Matrix metalloproteinases (MMPs) constitute a family of zinc-dependent proteases involved in the extracellular matrix degradation. MMP-2 and MMP9 are overexpressed in several human cancer types, including melanoma, thus ...
Molecular Formulas
(Vias, 2016)
Molecular Formulas
(Vias, 2011)
Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles
(2018-05-02)
Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into ...
Perfil epidemiológico de cepas de Neisseria meningitidis sorogrupo C circulantes no Brasil no período pré e pós vacinal
(Fiocruz/Instituto de Tecnologia em Imunobiológicos, 2018)