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Bioorganic and Medicinal Chemistry Letters(1)
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Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3d and topological indices
ArticleAbstract: In principle, there are different protein structural parameters that can be used in computational chPalabras claves:Protein stability, Protein structure, Spectral moments, topological indicesAutores:González‐díaz H., Podda G., Uriarte E., Yunierkis Perez-CastilloFuentes:googlescopusStochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case
ArticleAbstract: The Quantitative Structure-Property Relationships (QSPRs) based on Graph or Network Theory are imporPalabras claves:Biopolymers mixtures, complex networks, QSPRAutores:Borges F., Chou K.C., González‐díaz H., Maykel Cruz-Monteagudo, Munteanu C.R., Natalia Dias Soeiro Cordeiro M., Uriarte E.Fuentes:scopusSynthesis and study of a series of 3-arylcoumarins as potent and selective monoamine oxidase B inhibitors
ArticleAbstract: New series of 6-substituted-3-arylcoumarins displaying several alkyl, hydroxyl, halogen, and alkoxyPalabras claves:Autores:Matos M.J., Santana L., Terán C., Uriarte E., Viña D., Yunierkis Perez-CastilloFuentes:googlescopusQSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices
ArticleAbstract: The unified representation of spectral moments, classic topologic indices, quadratic indices, and stPalabras claves:Antiviral activity, Carbonucleosides synthesis, Markov models, QSAR, Quadratic Indices, Spectral moments, Topologic indicesAutores:De Clercq E., González‐díaz H., Maykel Cruz-Monteagudo, Santana L., Uriarte E., Viña D.Fuentes:scopus