Reinaldo Molina-Ruiz

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Humbert G. DíazIKERBASQUE Prof. Univ. of Basque Country UPV/EHUVerified email at ehu.es
Guillermin Agüero-Chapin, Ph.D.CIMAR/CIIMAR, Centro Interdisciplinar de Investigação Marinha e Ambiental, Universidade do PortoVerified email at ciimar.up.pt
Miguel Angel Cabrera-PérezUniversidad Católica del Norte. Facultad de Ciencias. Departamento de Ciencias FarmacéuticasVerified email at ucn.cl
Yunierkis Perez-CastilloUniversidad de Las Americas. QuitoVerified email at udla.edu.ec
Eugenio UriarteProfesor de Química Medicinal, Universidad de Santiago de Compostela, Universidad Autónoma de ChileVerified email at uautonoma.cl
M. Natalia D. S. CordeiroLAQV@REQUIMTE - Faculty of Sciences - University of PortoVerified email at fc.up.pt
Gisselle Pérez MachadoResponsable técnico y del Sistema Gestión de Calidad EpiDiseaseVerified email at epidisease.com
Aminael Sanchez-RodriguezUniversidad Técnica Particular de LojaVerified email at utpl.edu.ec
Deborah GalpertProfesor de Computación Universidad Central "Marta Abreu" de Las VillasVerified email at uclv.edu.cu
Fernanda BorgesProfessor of Medicinal Chemistry, Porto UniversityVerified email at fc.up.pt
Evys Ancede GallardoPhD Student at Universidad Andrés BelloVerified email at uandresbello.edu
Zenaida Rodriguez NegrinProfesora Titular, Universidad Central "Marta Abreu" de Las VillasVerified email at uclv.edu.cu
Pedro César Quero JiménezPhD Student at Autonomous University of Nuevo LeónVerified email at gmx.es
Xerardo García Mera, ORCID 0000-00...Catedrático de Química Orgánica (USC)Verified email at usc.es
Carlos MorellProfessor of Computer Science, Universidad Central "Marta Abreu" de Las VillasVerified email at 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 VillasVerified email at uclv.edu.cu
Jose Quincoces SuarezProfessor de Quimica, Universidade Anhanguera de São PauloVerified email at anhanguera.com
Cosme Ernesto Santiesteban TocaInstituto Tecnológico y de Estudios Superiores de Monterrey, Campus ChihuahuaVerified email at tec.mx
Emanuel MaldonadoCICS - Health Sciences Research Center, University of Beira InteriorVerified email at fcsaude.ubi.pt
Dany Domínguez PérezPhD in Biology, CIIMAR, University of PortoVerified email at ciimar.up.pt

Reinaldo Molina-Ruiz

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

Verified email at 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
Non-linear models based on simple topological indices to identify RNase III protein members G Agüero-Chapin, GA de La Riva, R Molina-Ruiz, A Sánchez-Rodríguez, ... Journal of theoretical biology 273 (1), 167-178, 2011	10	2011

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