Reinaldo Molina-Ruiz

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Humbert G. DíazIKERBASQUE Prof. Univ. of Basque Country UPV/EHUE-mail confirmado em ehu.es
Guillermin Agüero-Chapin, Ph.D.CIMAR/CIIMAR, Centro Interdisciplinar de Investigação Marinha e Ambiental, Universidade do PortoE-mail confirmado em ciimar.up.pt
Miguel Angel Cabrera-PérezUniversidad Católica del Norte. Facultad de Ciencias. Departamento de Ciencias FarmacéuticasE-mail confirmado em ucn.cl
Yunierkis Perez-CastilloUniversidad de Las Americas. QuitoE-mail confirmado em udla.edu.ec
Eugenio UriarteProfesor de Química Medicinal, Universidad de Santiago de Compostela, Universidad Autónoma de ChileE-mail confirmado em uautonoma.cl
M. Natalia D. S. CordeiroLAQV@REQUIMTE - Faculty of Sciences - University of PortoE-mail confirmado em fc.up.pt
Gisselle Pérez MachadoResponsable técnico y del Sistema Gestión de Calidad EpiDiseaseE-mail confirmado em epidisease.com
Aminael Sanchez-RodriguezUniversidad Técnica Particular de LojaE-mail confirmado em utpl.edu.ec
Deborah GalpertProfesor de Computación Universidad Central "Marta Abreu" de Las VillasE-mail confirmado em uclv.edu.cu
Fernanda BorgesProfessor of Medicinal Chemistry, Porto UniversityE-mail confirmado em fc.up.pt
Evys Ancede GallardoPhD Student at Universidad Andrés BelloE-mail confirmado em uandresbello.edu
Zenaida Rodriguez NegrinProfesora Titular, Universidad Central "Marta Abreu" de Las VillasE-mail confirmado em uclv.edu.cu
Pedro César Quero JiménezPhD Student at Autonomous University of Nuevo LeónE-mail confirmado em gmx.es
Xerardo García Mera, ORCID 0000-00...Catedrático de Química Orgánica (USC)E-mail confirmado em usc.es
Carlos MorellProfessor of Computer Science, Universidad Central "Marta Abreu" de Las VillasE-mail confirmado em uclv.edu.cu
yudith Cañizares-CarmenateUnit of Computer-Aided Molecular ‘‘Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Departamento de Farmacia, Facultad de Química-Farmacia, Universidad Central ‘‘Marta Abreu” de Las VillasE-mail confirmado em uclv.edu.cu
Jose Quincoces SuarezProfessor de Quimica, Universidade Anhanguera de São PauloE-mail confirmado em anhanguera.com
Cosme Ernesto Santiesteban TocaInstituto Tecnológico y de Estudios Superiores de Monterrey, Campus ChihuahuaE-mail confirmado em tec.mx
Emanuel MaldonadoCICS - Health Sciences Research Center, University of Beira InteriorE-mail confirmado em fcsaude.ubi.pt
Dany Domínguez PérezPhD in Biology, CIIMAR, University of PortoE-mail confirmado em ciimar.up.pt

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Reinaldo Molina-Ruiz

Titular Professor, Universidad Central "Marta Abreu" de Las Villas, Chemical Bioactive Center

E-mail confirmado em uclv.edu.cu

Chemistry Computational Chemistry Python programming Molecular calculations


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Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from Psidium guajava L. G Agüero-Chapin, H González-Díaz, R Molina, J Varona-Santos, ... FEBS letters 580 (3), 723-730, 2006	126	2006
TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides MP González, HG Díaz, RM Ruiz, MA Cabrera, R Ramos de Armas Journal of chemical information and computer sciences 43 (4), 1192-1199, 2003	100	2003
Markovian Negentropies in Bioinformatics. 1. A picture of Footprints after the Interaction of the HIV-1 ψ-RNA Packaging Region with Drugs HG Díaz, R Ramos de Armas, R Molina Bioinformatics 19 (16), 2079-2087, 2003	85	2003
Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices H González‐Díaz, Y Pérez‐castillo, G Podda, E Uriarte Journal of Computational Chemistry 28 (12), 1990-1995, 2007	76	2007
A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis MP González, HG Dı́az, MA Cabrera, RM Ruiz Bioorganic & medicinal chemistry 12 (4), 735-744, 2004	59	2004
Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries M Cruz-Monteagudo, F Borges, MNDS Cordeiro, JL Cagide Fajin, ... Journal of Combinatorial Chemistry 10 (6), 897-913, 2008	55	2008
A topological sub-structural approach of the mutagenic activity in dental monomers. 1. Aromatic epoxides MP González, AM Helguera, RM Ruiz, JRG Fárdales Polymer 45 (8), 2773-2779, 2004	42	2004
A topological substructural approach applied to the computational prediction of rodent carcinogenicity AM Helguera, MAC Pérez, MP González, RM Ruiz, HG Díaz Bioorganic & medicinal chemistry 13 (7), 2477-2488, 2005	36	2005
Phosphate and arsenate retention in sediments of the Anllóns river (northwest Spain) D Rubinos, MT Barral, B Ruiz, M Ruiz, ME Rial, M Álvarez, F Díaz-Fierros Water Science and Technology 48 (10), 159-166, 2003	33	2003
A topological substructural approach applied to the computational prediction of rodent carcinogenicity A MORALES HELGUERA, MA CABRERA PEREZ, M PEREZ GONZALEZ, ... Bioorganic & medicinal chemistry 13 (7), 2477-2488, 2005	24	2005
Stochastic‐based descriptors studying biopolymers biological properties: Extended MARCH‐INSIDE methodology describing antibacterial activity of lactoferricin derivatives R Ramos de Armas, HG Díaz, R Molina, E Uriarte Biopolymers: Original Research on Biomolecules 77 (5), 247-256, 2005	21	2005
TI2BioP: Topological Indices to BioPolymers. Its practical use to unravel cryptic bacteriocin-like domains G Agüero-Chapin, G Pérez-Machado, R Molina-Ruiz, Y Pérez-Castillo, ... Amino Acids 40, 431-442, 2011	19	2011
MARCH-INSIDE version 3.0 (MARkov CHains INvariants for SImulation & DEsign) H González-Díaz, R Molina-Ruiz, I Hernandez Windows supported version under request to the main author contact email …, 2007	19	2007
Graph theory-based sequence descriptors as remote homology predictors G Agüero-Chapin, D Galpert, R Molina-Ruiz, E Ancede-Gallardo, ... Biomolecules 10 (1), 26, 2019	15	2019
An alignment-free approach for eukaryotic ITS2 annotation and phylogenetic inference G Agüero-Chapin, A Sánchez-Rodríguez, PI Hidalgo-Yanes, ... PLoS One 6 (10), e26638, 2011	15	2011
Theoretical prediction of antiproliferative activity against murine leukemia tumor cell line (L1210). 3D‐morse descriptor and its application in computational chemistry L Saíz‐Urra, Y Pérez‐Castillo, M Perez Gonzalez, R Molina Ruiz, ... QSAR & Combinatorial Science 28 (1), 98-110, 2009	15	2009
A Novel Automated Framework for QSAR Modeling of Highly Imbalanced Leishmania High-Throughput Screening Data O Casanova-Alvarez, A Morales-Helguera, MÁ Cabrera-Pérez, ... Journal of Chemical Information and Modeling 61 (7), 3213-3231, 2021	12	2021
Exploring the adenylation domain repertoire of nonribosomal peptide synthetases using an ensemble of sequence-search methods G Agüero-Chapin, R Molina-Ruiz, E Maldonado, G de la Riva, ... PLoS One 8 (7), e65926, 2013	12	2013
The Harderian gland transcriptomes of Caraiba andreae, Cubophis cantherigerus and Tretanorhinus variabilis, three colubroid snakes from Cuba AA Dany Domínguez-Pérez, Jordi Durban, Guillermin Agüero-Chapin, Javier ... Genomics. https://doi.org/10.1016/j.ygeno.2018.11.026, 2018	11	2018
2-(2-Methyl-2-nitrovinyl)furan but Not Furvina Interfere with Staphylococcus aureus Agr Quorum-Sensing System and Potentiate the Action of Fusidic Acid against … D Oliveira, A Borges, RM Ruiz, ZR Negrín, S Distinto, F Borges, M Simões International Journal of Molecular Sciences 22 (2), 613, 2021	10	2021

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