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HP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence
ArticleAbstract: The toxicity and inefficacy of actual organic drugs against Leishmaniosis justify research projectsPalabras claves:2D-electrophoresis, BLAST, complex networks, Dyneins, HP-Lattice model, Leishmania infantum, Mass spectrometry, Parasites proteomics, QSAR, Sequence alignment, Spectral momentsAutores:Bolas-Fernández F., Chou K.C., Dea-Ayuela M.A., González‐díaz H., Meneses-Marcel A., Ubeira F.M., Yunierkis Perez-CastilloFuentes:googlescopusIFPTML mapping of nanoparticle antibacterial activity: Vs. pathogen metabolic networks
ArticleAbstract: Nanoparticles are useful antimicrobial drug-release systems, but some nanoparticles also exhibit antPalabras claves:Autores:Bernabé Ortega-Tenezaca, González‐díaz H.Fuentes:scopusGene prioritization through consensus strategy, enrichment methodologies analysis, and networking for osteosarcoma pathogenesis
ArticleAbstract: Osteosarcoma is the most common subtype of primary bone cancer, affecting mostly adolescents. In recPalabras claves:Communality analysis, early recognition, Gene prioritization, Osteosarcoma, pathogenesisAutores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Cesar Paz-y-Miño, Eduardo Tejera, Gabriela Fernanda Jaramillo-Koupermann, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:scopusGene prioritization, communality analysis, networking and metabolic integrated pathway to better understand breast cancer pathogenesis
ArticleAbstract: Consensus strategy was proved to be highly efficient in the recognition of gene-disease association.Palabras claves:Autores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Cesar Paz-y-Miño, Eduardo Tejera, González‐díaz H., Munteanu C.R., Sierra A.P., Stephen Jones Barigye, Yunierkis Perez-CastilloFuentes:googlescopusComputational 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:googlescopusComputational chemistry development of a unified free energy Markov Model for the distribution of 1300 chemicals to 38 different environmental or biological systems
ArticleAbstract: Predicting tissue and environmental distribution of chemicals is of major importance for environmentPalabras claves:Chem-informatics, Chemicals environmental distribution, Free energy, Markov models, Partition coefficients, quantitative structure-property relationshipsAutores:Agüero-Chapin G., Borges F., Dominguez E.R., González‐díaz H., Maykel Cruz-Monteagudo, Podda G., Santana L., Uriarte E.Fuentes:scopusComputational ecotoxicology: Simultaneous prediction 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 prediction 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:scopus3D-Chiral quadratic indices of the 'molecular pseudographa's atom adjacency matrix' and their application to central chirality codification: Classification of ACE inhibitors and prediction of σ-receptor antagonist activities
ArticleAbstract: Quadratic indices of the 'molecular pseudograph's atom adjacency matrix' have been generalized to coPalabras claves:3D-Chiral quadratic indices, Angiotesin-converting enzyme inhibitors, tomocomd-cardd Approach, σ-Receptor antagonistsAutores:Castro E.A., González‐díaz H., Torrens F., Yovani Marrero-Ponce, Zaldivar V.R.Fuentes:scopus