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Humberto González Díaz

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Feng Luan; Francisco J Romero-Duran; Matilde Yañez; Nerea Alonso; Olga Caamaño; M Natália D S Cordeiro; Xerardo García-Mera; Humberto González Díaz
TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.
Humberto González Díaz; Esther Lete; Cristian Munteanu; Alejandro Pazos; Sonia Arrasate; Lina Besada-Porto; Nuria Sotomayor; Juan M Ruso
MIANN Models in Medicinal, Physical and Organic Chemistry.
Humberto González Díaz; Pablo Riera-Fernández
New Markov-autocorrelation indices for re-evaluation of links in chemical and biological complex networks used in metabolomics, parasitology, neurosciences, and epidemiology.

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2013: Feng Luan; Francisco J Romero-Duran; Matilde Yañez; Nerea Alonso; Olga Caamaño; M Natália D S Cordeiro; Xerardo García-Mera; Humberto González Díaz
TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.
Bioorganic & medicinal chemistry 2013;21(7):1870-9.
2013: Humberto González Díaz; Esther Lete; Cristian Munteanu; Alejandro Pazos; Sonia Arrasate; Lina Besada-Porto; Nuria Sotomayor; Juan M Ruso
MIANN Models in Medicinal, Physical and Organic Chemistry.
Current topics in medicinal chemistry 2013;13(5):619-41.
2012: Humberto González Díaz; Pablo Riera-Fernández
New Markov-autocorrelation indices for re-evaluation of links in chemical and biological complex networks used in metabolomics, parasitology, neurosciences, and epidemiology.
Journal of chemical information and modeling 2012;52(12):3331-40.
2012: Esvieta Tenorio-Borroto; Juan C Vásquez Chagoyán; Nilo Castañedo; Xerardo García-Mera; Claudia G Peñuelas Rivas; Francisco J Prado-Prado; Humberto González Díaz
ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen.
Bioorganic & medicinal chemistry 2012;20(20):6181-94.
2012: Vanessa Aguiar-Pulido; Enrique Fernández-Blanco; Humberto González Díaz; Cristian Munteanu; Lázaro G Pérez-Montoto; José Antonio Seoane; Julián Dorado
Naïve Bayes QSDR classification based on spiral-graph Shannon entropies for protein biomarkers in human colon cancer.
Molecular bioSystems 2012;8(6):1716-22.
2012: Humberto González Díaz; Cristian Munteanu; Lucian Postelnicu; Francisco Prado-Prado; Marcos Gestal; Alejandro Pazos
LIBP-Pred: web server for lipid binding proteins using structural network parameters; PDB mining of human cancer biomarkers and drug targets in parasites and bacteria.
Molecular bioSystems 2012;8(3):851-62.
2012: Francisco Prado-Prado; Matilde Yañez; Nerea Alonso; Olga Caamaño; Manuel Escobar; Xerardo García-Mera; Humberto González Díaz
3D MI-DRAGON: new model for the reconstruction of US FDA drug- target network and theoretical-experimental studies of inhibitors of rasagiline derivatives for AChE.
Current topics in medicinal chemistry 2012;12(16):1843-65.
2012: Esvieta Tenorio-Borroto; Juan C Vásquez-Chagoyán; Xerardo García-Mera; Claudia G Peñuelas-Rivas; Francisco J Prado-Pradoa; Humberto González Díaz
Immunotoxicity, flow cytometry, and chemoinformatics: review, bibliometric analysis, and new QSAR model of drug effects over macrophages.
Current topics in medicinal chemistry 2012;12(16):1815-33.
2011: Francisco Prado-Prado; Pablo Riera-Fernandez; Eduardo Sobarzo-Sánchez; Matilde Yañez; Manuel Escobar; Xerardo García-Mera; Humberto González Díaz
2D MI-DRAGON: a new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins.
European journal of medicinal chemistry 2011;46(12):5838-51.
2011: Humberto González Díaz; Laura Muíño; Ana M Anadón; Fernanda Romaris; Francisco J Prado-Prado; Cristian Munteanu; Julián Dorado; Alejandro Pazos Sierra; Mercedes Mezo; Marta González-Warleta; Teresa Gárate; Florencio M Ubeira
MISS-Prot: web server for self/non-self discrimination of protein residue networks in parasites; theory and experiments in Fasciola peptides and Anisakis allergens.
Molecular bioSystems 2011;7(6):1938-55.
2011: Giovanni Marzaro; Adriana Chilin; Adriano Guiotto; Eugenio Uriarte; Paola Brun; Ignazio Castagliuolo; Francesca Tonus; Humberto González Díaz
Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors.
European journal of medicinal chemistry 2011;46(6):2185-92.
2011: Humberto González Díaz; Francisco Prado-Prado; Eduardo Sobarzo-Sánchez; Mohamed Haddad; Séverine Maurel Chevalley; Alexis Valentin; Joëlle Quetin-Leclercq; María A Dea-Ayuela; María Teresa Gomez-Muños; Cristian Munteanu; Juan José Torres-Labandeira; Xerardo García-Mera; Ricardo A Tapia; Florencio M Ubeira
NL MIND-BEST: a web server for ligands and proteins discovery--theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum.
Journal of theoretical biology 2011;276(1):229-49.
2011: Isela García; Yagamare Fall; Generosa Gómez; Humberto González Díaz
First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines.
Molecular diversity 2011;15(2):561-7.
2011: Francisco Prado-Prado; Xerardo García-Mera; Paula Abeijón; Nerea Alonso; Olga Caamaño; Matilde Yáñez; Teresa Gárate; Mercedes Mezo; Marta González-Warleta; Laura Muiño; Florencio M Ubeira; Humberto González Díaz
Using entropy of drug and protein graphs to predict FDA drug-target network: theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica.
European journal of medicinal chemistry 2011;46(4):1074-94.
2011: Humberto González Díaz; Francisco Prado-Prado; Xerardo García-Mera; Nerea Alonso; Paula Abeijón; Olga Caamaño; Matilde Yáñez; Cristian Munteanu; Alejandro Pazos; María Auxiliadora Dea-Ayuela; María Teresa Gómez-Muñoz; M Magdalena Garijo; José Sansano; Florencio M Ubeira
MIND-BEST: Web server for drugs and target discovery; design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from Trichomonas gallinae.
Journal of proteome research 2011;10(4):1698-718.
2010: Humberto González Díaz
Network topological indices, drug metabolism, and distribution.
Current drug metabolism 2010;11(4):283-4.
2010: Humberto González Díaz; Aliuska Duardo-Sanchez; Florencio M Ubeira; Francisco Prado-Prado; Lázaro Pérez-Montoto; R Concu; Gianni Podda; bairong shen
Review of MARCH-INSIDE & complex networks prediction of drugs: ADMET, anti-parasite activity, metabolizing enzymes and cardiotoxicity proteome biomarkers.
Current drug metabolism 2010;11(4):379-406.
2010: Humberto González Díaz; María A Dea-Ayuela; Lázaro Pérez-Montoto; Francisco J Prado-Prado; Guillermín Agüero-Chapín; Francisco Bolas-Fernández; Roberto I Vazquez-Padrón; Florencio M Ubeira
QSAR for RNases and theoretic-experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein.
Molecular diversity 2010;14(2):349-69.
2010: Francisco J Prado-Prado; Xerardo García-Mera; Humberto González Díaz
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
Bioorganic & medicinal chemistry 2010;18(6):2225-31.
2010: Yamilet Rodriguez-Soca; Cristian Munteanu; Julián Dorado; Alejandro Pazos; Francisco J Prado-Prado; Humberto González Díaz
Trypano-PPI: a web server for prediction of unique targets in trypanosome proteome by using electrostatic parameters of protein-protein interactions.
Journal of proteome research 2010;9(2):1182-90.
2010: Francisco J Prado-Prado; Florencio M Ubeira; Fernanda Borges; Humberto González Díaz
Unified QSAR & network-based computational chemistry approach to antimicrobials. II. Multiple distance and triadic census analysis of antiparasitic drugs complex networks.
Journal of computational chemistry 2010;31(1):164-73.
2010: Riccardo Concu; Gianni Podda; Florencio M Ubeira; Humberto González Díaz
Review of QSAR models for enzyme classes of drug targets: Theoretical background and applications in parasites, hosts, and other organisms.
Current pharmaceutical design 2010;16(24):2710-23.
2010: Humberto González Díaz; Fernanda Romaris; Aliuska Duardo-Sanchez; Lázaro G Pérez-Montoto; Francisco Prado-Prado; Grace Patlewicz; Florencio M Ubeira
Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications, and legal issues.
Current pharmaceutical design 2010;16(24):2737-64.
2009: Santiago Vilar; Humberto González Díaz; Lourdes Santana; Eugenio Uriarte
A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer.
Journal of theoretical biology 2009;261(3):449-58.
2009: R Concu; M A Dea-Ayuela; Lázaro Pérez-Montoto; F J Prado-Prado; Eugenio Uriarte; F Bolás-Fernández; Gianni Podda; A Pazos; Cristian Munteanu; Florencio M Ubeira; Humberto González Díaz
3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in Leishmania parasites.
Biochimica et biophysica acta 2009;1794(12):1784-94.
2009: Humberto González Díaz; Lázaro Pérez-Montoto; A Duardo-Sanchez; Esperanza Paniagua; S Vázquez-Prieto; R Vilas; M A Dea-Ayuela; Francisco Bolas-Fernández; Cristian Munteanu; J Dorado; Javier Costas; Florencio M Ubeira
Generalized lattice graphs for 2D-visualization of biological information.
Journal of theoretical biology 2009;261(1):136-47.
2009: Francisco J Prado-Prado; Eugenio Uriarte; Fernanda Borges; Humberto González Díaz
Multi-target spectral moments for QSAR and Complex Networks study of antibacterial drugs.
European journal of medicinal chemistry 2009;44(11):4516-21.
2009: Lázaro Pérez-Montoto; Lourdes Santana; Humberto González Díaz
Scoring function for DNA-drug docking of anticancer and antiparasitic compounds based on spectral moments of 2D lattice graphs for molecular dynamics trajectories.
European journal of medicinal chemistry 2009;44(11):4461-9.
2009: Francisco J Prado-Prado; Fernanda Borges; Eugenio Uriarte; Lazaro G Peréz-Montoto; Humberto González Díaz
Multi-target spectral moment: QSAR for antiviral drugs vs. different viral species.
Analytica chimica acta 2009;651(2):159-64.
2009: Francisco J Prado-Prado; Fernanda Borges; Lázaro Pérez-Montoto; Humberto González Díaz
Multi-target spectral moment: QSAR for antifungal drugs vs. different fungi species.
European journal of medicinal chemistry 2009;44(10):4051-6.
2009: Riccardo Concu; Maria A Dea-Ayuela; Lázaro Pérez-Montoto; Francisco Bolas-Fernández; Francisco J Prado-Prado; Gianni Podda; Eugenio Uriarte; Florencio M Ubeira; Humberto González Díaz
Prediction of enzyme classes from 3D structure: a general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins.
Journal of proteome research 2009;8(9):4372-82.
2009: Riccardo Concu; Gianni Podda; Eugenio Uriarte; Humberto González Díaz
Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials.
Journal of computational chemistry 2009;30(9):1510-20.
2009: Dolores Viña; Eugenio Uriarte; Francisco Orallo; Humberto González Díaz
Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors.
Molecular pharmaceutics 2009;6(3):825-35.
2009: Guillermín Agüero-Chapin; Javier Varona-Santos; Gustavo A de la Riva; Agostinho Antunes; Tomás González-Vlla; Eugenio Uriarte; Humberto González Díaz
Alignment-free prediction of polygalacturonases with pseudofolding topological indices: experimental isolation from Coffea arabica and prediction of a new sequence.
Journal of proteome research 2009;8(4):2122-8.
2009: Cristian Munteanu; Alexandre L Magalhães; Eugenio Uriarte; Humberto González Díaz
Multi-target QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices.
Journal of theoretical biology 2009;257(2):303-11.
2009: Alcides Perez-Bello; Cristian Munteanu; Florencio M Ubeira; Alexandre Lopes De Magalhães; Eugenio Uriarte; Humberto González Díaz
Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices.
Journal of theoretical biology 2009;256(3):458-66.
2009: Francisco J Prado-Prado; Octavio Martinez de la Vega; Eugenio Uriarte; Florencio M Ubeira; Kuo-Chen Chou; Humberto González Díaz
Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks.
Bioorganic & medicinal chemistry 2009;17(2):569-75.
2008: Santiago Vilar; Humberto González Díaz; Lourdes Santana; Eugenio Uriarte
QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks.
Journal of computational chemistry 2008;29(16):2613-22.
2008: Maykel Cruz-Monteagudo; Cristian Munteanu; Fernanda Borges; maria natalia cordeiro; Eugenio Uriarte; Humberto González Díaz
Quantitative Proteome-Property Relationships (QPPRs). Part 1: finding biomarkers of organic drugs with mean Markov connectivity indices of spiral networks of blood mass spectra.
Bioorganic & medicinal chemistry 2008;16(22):9684-93.
2008: Lourdes Santana; Humberto González Díaz; Elías Quezada; Eugenio Uriarte; Matilde Yáñez; Dolores Viña; Matilde Yañez
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
Journal of medicinal chemistry 2008;51(21):6740-51.
2008: Guillermín Agüero-Chapín; Agostinho Antunes; Florencio M Ubeira; Kuo-Chen Chou; Humberto González Díaz
Comparative study of topological indices of macro/supramolecular RNA complex networks.
Journal of chemical information and modeling 2008;48(11):2265-77.
2008: Cristian Munteanu; Humberto González Díaz; Fernanda Borges; Alexandre Lopes de Magalhães
Natural/random protein classification models based on star network topological indices.
Journal of theoretical biology 2008;254(4):775-83.
2008: Cristian Munteanu; Humberto González Díaz; Alexandre L Magalhães
Enzymes/non-enzymes classification model complexity based on composition, sequence, 3D and topological indices.
Journal of theoretical biology 2008;254(2):476-82.
2008: Maykel Cruz-Monteagudo; Humberto González Díaz; Fernanda Borges; Elena Rosa Dominguez; maria natalia cordeiro
3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 2. quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy.
Chemical research in toxicology 2008;21(3):619-32.
2008: Humberto González Díaz; Francisco J Prado-Prado
Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: multispecies activity models for antifungals.
Journal of computational chemistry 2008;29(4):656-67.
2008: Humberto González Díaz; Yenny González-Díaz; Lourdes Santana; Florencio M Ubeira; Eugenio Uriarte
Proteomics, networks and connectivity indices.
Proteomics 2008;8(4):750-78.
2007: Humberto González Díaz; Yunierkis Pérez-Castillo; Gianni Podda; Eugenio Uriarte
Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices.
Journal of computational chemistry 2007;28(12):1990-5.
2007: Maykel Cruz-Monteagudo; Humberto González Díaz; Guillermín Agüero-Chapín; Lourdes Santana; Fernanda Borges; Elena Rosa Domínguez; Gianni Podda; Eugenio Uriarte
Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems.
Journal of computational chemistry 2007;28(11):1909-23.
2007: Humberto González Díaz; Isis Bonet; Carmen Terán; Erik De Clercq; Rafael Bello; Maria M García; Lourdes Santana; Eugenio Uriarte
ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds.
European journal of medicinal chemistry 2007;42(5):580-5.
2007: Humberto González Díaz; Guillermín Agüero-Chapin; Javier Varona; Reinaldo Molina Ruiz; Giovanna Delogu; Lourdes Santana; Eugenio Uriarte; Gianni Podda
2D-RNA-coupling numbers: a new computational chemistry approach to link secondary structure topology with biological function.
Journal of computational chemistry 2007;28(6):1049-56.
2007: Humberto González Díaz; Liane Saíz-Urra; Reinaldo Molina Ruiz; Yenny González-Díaz; Angeles Sánchez-González
Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments.
Journal of computational chemistry 2007;28(6):1042-8.
2007: Humberto González Díaz; Santiago Vilar; Lourdes Santana; Gianni Podda; Eugenio Uriarte
On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: embryo and stem cells.
Bioorganic & medicinal chemistry 2007;15(7):2544-50.
2007: Francisco J Prado-Prado; Humberto González Díaz; Lourdes Santana; Eugenio Uriarte
Unified QSAR approach to antimicrobials. Part 2: predicting activity against more than 90 different species in order to halt antibacterial resistance.
Bioorganic & medicinal chemistry 2007;15(2):897-902.
2007: Humberto González Díaz; Ervelio Olazábal; Lourdes Santana; Eugenio Uriarte; Yenny González-Díaz; Nilo Castañedo
QSAR study of anticoccidial activity for diverse chemical compounds: prediction and experimental assay of trans-2-(2-nitrovinyl)furan.
Bioorganic & medicinal chemistry 2007;15(2):962-8.
2007: Humberto González Díaz; Santiago Vilar; Lourdes Santana; Eugenio Uriarte
Medicinal chemistry and bioinformatics--current trends in drugs discovery with networks topological indices.
Current topics in medicinal chemistry 2007;7(10):1015-29.
2006: Maykel Cruz-Monteagudo; Humberto González Díaz; Fernanda Borges; Yenny González-Díaz
Simple stochastic fingerprints towards mathematical modeling in biology and medicine. 3. Ocular irritability classification model.
Bulletin of mathematical biology 2006;68(7):1555-72.
2006: Maykel Cruz-Monteagudo; Humberto González Díaz; Eugenio Uriarte
Simple stochastic fingerprints towards mathematical modeling in biology and medicine 2. Unifying Markov model for drugs side effects.
Bulletin of mathematical biology 2006;68(7):1527-54.
2006: Humberto González Díaz; Francisco J Prado-Prado; Lourdes Santana; Eugenio Uriarte
Unify QSAR approach to antimicrobials. Part 1: predicting antifungal activity against different species.
Bioorganic & medicinal chemistry 2006;14(17):5973-80.
2006: Humberto González Díaz; Angeles Sánchez-González; Yenny González-Díaz
3D-QSAR study for DNA cleavage proteins with a potential anti-tumor ATCUN-like motif.
Journal of inorganic biochemistry 2006;100(7):1290-7.
2006: Humberto González Díaz; Dolores Viña; Lourdes Santana; Erik De Clercq; Eugenio Uriarte
Stochastic entropy QSAR for the in silico discovery of anticancer compounds: prediction, synthesis, and in vitro assay of new purine carbanucleosides.
Bioorganic & medicinal chemistry 2006;14(4):1095-107.
2006: Lourdes Santana; Eugenio Uriarte; Humberto González Díaz; Giuseppe Zagotto; Ramón Soto-Otero; Estefanía Méndez-Alvarez
A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins.
Journal of medicinal chemistry 2006;49(3):1149-56.
2006: Guillermín Agüero-Chapin; Humberto González Díaz; Reinaldo Molina Ruiz; Javier Varona-Santos; Eugenio Uriarte; Yenny González-Díaz
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.
FEBS letters 2006;580(3):723-30.
2006: Humberto González Díaz; Alcides Pérez-Bello; Eugenio Uriarte; Yenny González-Díaz
QSAR study for mycobacterial promoters with low sequence homology.
Bioorganic & medicinal chemistry letters 2006;16(3):547-53.
2005: Humberto González Díaz; Eugenio Uriarte
Proteins QSAR with Markov average electrostatic potentials.
Bioorganic & medicinal chemistry letters 2005;15(22):5088-94.
2005: Maykel Cruz-Monteagudo; Humberto González Díaz
Unified drug-target interaction thermodynamic Markov model using stochastic entropies to predict multiple drugs side effects.
European journal of medicinal chemistry 2005;40(10):1030-41.
2005: Humberto González Díaz; Reinaldo Molina Ruiz; Eugenio Uriarte
Recognition of stable protein mutants with 3D stochastic average electrostatic potentials.
FEBS letters 2005;579(20):4297-301.
2005: Humberto González Díaz; Guillermín Agüero-Chapin; Javier Varona-Santos; Reinaldo Molina Ruiz; Gustavo de la Riva; Eugenio Uriarte
2D RNA-QSAR: assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L.
Bioorganic & medicinal chemistry letters 2005;15(11):2932-7.
2005: Liane Saíz-Urra; Humberto González Díaz; Eugenio Uriarte
Proteins Markovian 3D-QSAR with spherically-truncated average electrostatic potentials.
Bioorganic & medicinal chemistry 2005;13(11):3641-7.
2005: Humberto González Díaz; Eugenio Uriarte
Biopolymer stochastic moments. I. Modeling human rhinovirus cellular recognition with protein surface electrostatic moments.
Biopolymers 2005;77(5):296-303.
2005: Humberto González Díaz; Maykel Cruz-Monteagudo; Dolores Viña; Lourdes Santana; Eugenio Uriarte; Erik De Clercq
QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices.
Bioorganic & medicinal chemistry letters 2005;15(6):1651-7.
2005: Humberto González Díaz; Luis A Torres-Gómez; Yaima Guevara; Manuel S Almeida; Reinaldo Molina Ruiz; Nilo Castañedo; Lourdes Santana; Eugenio Uriarte
Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials.
Journal of molecular modeling 2005;11(2):116-23.
2005: Humberto González Díaz; Esvieta Tenorio; Nilo Castañedo; Lourdes Santana; Eugenio Uriarte
3D QSAR Markov model for drug-induced eosinophilia--theoretical prediction and preliminary experimental assay of the antimicrobial drug G1.
Bioorganic & medicinal chemistry 2005;13(5):1523-30.
2005: Humberto González Díaz; Maykel Cruz-Monteagudo; Reinaldo Molina Ruiz; Esvieta Tenorio; Eugenio Uriarte
Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model.
Bioorganic & medicinal chemistry 2005;13(4):1119-29.
2005: Humberto González Díaz; Guillermin Agüero; Miguel A Cabrera; Reinaldo Molina Ruiz; Lourdes Santana; Eugenio Uriarte; Giovanna Delogu; Nilo Castañedo
Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species: distribution of the antimicrobial G1 on rat tissues.
Bioorganic & medicinal chemistry letters 2005;15(3):551-7.
2005: Humberto González Díaz; Eugenio Uriarte; Ronal Ramos de Armas
Predicting stability of Arc repressor mutants with protein stochastic moments.
Bioorganic & medicinal chemistry 2005;13(2):323-31.
2004: Humberto González Díaz; Reinaldo Molina Ruiz; Eugenio Uriarte
Markov entropy backbone electrostatic descriptors for predicting proteins biological activity.
Bioorganic & medicinal chemistry letters 2004;14(18):4691-5.
2004: Ronal Ramos de Armas; Humberto González Díaz; Reinaldo Molina Ruiz; Maykel Pérez González; Eugenio Uriarte
Stochastic-based descriptors studying peptides biological properties: modeling the bitter tasting threshold of dipeptides.
Bioorganic & medicinal chemistry 2004;12(18):4815-22.
2004: Ronal Ramos de Armas; Humberto González Díaz; Reinaldo Molina Ruiz; Eugenio Uriarte
Markovian Backbone Negentropies: Molecular descriptors for protein research. I. Predicting protein stability in Arc repressor mutants.
Proteins 2004;56(4):715-23.
2002: Humberto González Díaz; Ervelio Olazabal; Nilo Castañedo; Ivan Hernádez Sánchez; Alcidez Morales; Hector S Serrano; Julio González; Ronal Ramos de Armas
Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer aided molecular design II: experimental and theoretical assessment of a novel method for virtual screening of fasciolicides.
Journal of molecular modeling 2002;8(8):237-45.