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Computational ecotoxicology: Simultaneous pbkp_rediction of ecotoxic effects of nanoparticles under different experimental conditions
ArticleAbstract: Nanotechnology has brought great advances to many fields of modern science. A manifold of applicatioPalabras claves:ecotoxicity, Moving average approach, Nanoparticle, pbkp_rediction, perturbation theory, QSARAutores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Melo A., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusComputational tool for risk assessment of nanomaterials: Novel QSTR-perturbation model for simultaneous pbkp_rediction of ecotoxicity and cytotoxicity of uncoated and coated nanoparticles under multiple experimental conditions
ArticleAbstract: Nanomaterials have revolutionized modern science and technology due to their multiple applications iPalabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusComputer-aided nanotoxicology: Assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach
ArticleAbstract: Nowadays, the interest in the search for new nanomaterials with improved electrical, optical, catalyPalabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Melo A., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusFirst Multitarget Chemo-Bioinformatic Model to Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens
ArticleAbstract: Antimicrobial peptides (AMPs) have emerged as promising therapeutic alternatives to fight against thPalabras claves:Autores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusEnabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Pbkp_rediction of Antibacterial Activity and Cytotoxicity
ArticleAbstract: Antimicrobial peptides (AMPs) represent promising alternatives to fight against bacterial pathogens.Palabras claves:alanine scanning, AMP, autocorrelations, Contributions, Mtk-computational modelAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusMatrix trace operators: From spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes
ArticleAbstract: The study of quantitative structure-property relationships (QSPR) is important to study complex netwPalabras claves:Carbolithiations, Complex network, Drug ADME process, Markov chain, Organic synthesis, QSPR/QSAR model, Self-aggregation of drug micelle nanoparticles, Spectral moments and perturbation theoryAutores:Alejandro Speck-Planche, Arrasate S., González‐díaz H., Juan A.G.S., Lete E., Luan F., Natalia Dias Soeiro Cordeiro M., Ruso J.M., Sotomayor N.Fuentes:scopus