Humberto González-Díaz

发表

Protein Graphs in Cancer Prediction

Alejandro Pazos, Cristian R. Munteanu, Santiago Vilar, 2010 .

Medicinal chemistry and bioinformatics--current trends in drugs discovery with networks topological indices.

Lourdes Santana, Santiago Vilar, Eugenio Uriarte, 2007, Current topics in medicinal chemistry.

Proteomics, networks and connectivity indices

Lourdes Santana, Humberto González-Díaz, Florencio M Ubeira, 2008, Proteomics.

Bio-AIMS Chemoinformatics Web Tools for Proteins

Carlos Fernandez-Lozano, Cristian R. Munteanu, José Antonio Seoane Fernández, 2015 .

Editorial (Thematic Issue: Nanocarriers & Drug Delivery: Rational Design and Applications)

Humberto González-Díaz, Marcos Garcia-Fuentes, Noemi Csaba, 2014 .

Editorial (Thematic Issue: Chemoinformatics Models for Pharmaceutical Design, Part 2).

Danail Bonchev, Subhash C Basak, Humberto González-Díaz, 2016, Current pharmaceutical design.

Net-Net AutoML Selection of Artificial Neural Network Topology for Brain Connectome Prediction

Juan R. Rabuñal, Cristian R. Munteanu, Marcos Gestal, 2020, Applied Sciences.

LECTINPred: web Server that Uses Complex Networks of Protein Structure for Prediction of Lectins with Potential Use as Cancer Biomarkers or in Parasite Vaccine Design

Nieves Pedreira, Alejandro Pazos, Cristian R Munteanu, 2014, Molecular informatics.

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.

Cristian R. Munteanu, Alejandro Pazos, Humberto González-Díaz, 2011, Journal of proteome research.

Editorial (Hot Topic: Bioinformatics and Quantitative Structure-Property Relationship (QSPR) Models)

Humberto González-Díaz, 2013 .

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.

Humberto González-Díaz, Xerardo García-Mera, Francisco Prado-Prado, 2012, Current topics in medicinal chemistry.

From QSAR models of drugs to complex networks: state-of-art review and introduction of new Markov-spectral moments indices.

Aliuska Duardo-Sanchez, Cristian R Munteanu, Pablo Riera-Fernández, 2012, Current topics in medicinal chemistry.

A study of the Immune Epitope Database for some fungi species using network topological indices

Humberto González-Díaz, Esperanza Paniagua, Hugo Solana, 2017, Molecular Diversity.

Carbon Nanotubes’ Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra

Alejandro Pazos, Cristian R Munteanu, Víctor Maojo, 2017, Nanomaterials.

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.

Humberto González-Díaz, Eugenio Uriarte, Yenny González-Díaz, 2006, FEBS letters.

nanotoxicology : assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach †

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2014 .

On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: embryo and stem cells.

Lourdes Santana, Gianni Podda, Santiago Vilar, 2007, Bioorganic & medicinal chemistry.

3D-QSAR study for DNA cleavage proteins with a potential anti-tumor ATCUN-like motif.

Humberto González-Díaz, Yenny González-Díaz, Angeles Sánchez-González, 2006, Journal of inorganic biochemistry.

Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives

Humberto González-Díaz, Xerardo García-Mera, Nerea Alonso, 2016, Neuropharmacology.

Stochastic molecular descriptors for polymers. 3. Markov electrostatic moments as polymer 2D-folding descriptors: RNA–QSAR for mycobacterial promoters

Humberto González-Díaz, Eugenio Uriarte, E. Uriarte, 2005 .

Network Topological Indices from Chem-Bioinformatics to Legal Sciences and back

Aliuska Duardo-Sanchez, Grace Patlewicz, Humberto González-Díaz, 2011 .

TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.

Feng Luan, M Natália D S Cordeiro, Humberto González-Díaz, 2013, Bioorganic & medicinal chemistry.

Multi-target spectral moments for QSAR and Complex Networks study of antibacterial drugs.

Humberto González-Díaz, Eugenio Uriarte, Fernanda Borges, 2009, European journal of medicinal chemistry.

A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins.

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2006, Journal of medicinal chemistry.

Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues

Maykel Cruz-Monteagudo, Guillermin Agüero-Chapin, Humberto González-Díaz, 2008 .

Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model.

Maykel Cruz-Monteagudo, Humberto González-Díaz, Eugenio Uriarte, 2005, Bioorganic & medicinal chemistry.

Unify QSAR approach to antimicrobials. Part 1: predicting antifungal activity against different species.

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2006, Bioorganic & medicinal chemistry.

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.

Humberto González-Díaz, Pablo Riera-Fernandez, Xerardo García-Mera, 2011, European journal of medicinal chemistry.

Proteins Markovian 3D-QSAR with spherically-truncated average electrostatic potentials.

Humberto González-Díaz, Eugenio Uriarte, E. Uriarte, 2005, Bioorganic & medicinal chemistry.

3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 2. quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy.

Maykel Cruz-Monteagudo, M Natália D S Cordeiro, Humberto González-Díaz, 2008, Chemical research in toxicology.

ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen.

Humberto González-Díaz, Nilo Castañedo, Xerardo García-Mera, 2012, Bioorganic & medicinal chemistry.

Markovian chemicals “in silico” design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2005 .

Stochastic entropy QSAR for the in silico discovery of anticancer compounds: prediction, synthesis, and in vitro assay of new purine carbanucleosides.

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2006, Bioorganic & medicinal chemistry.

Natural/random protein classification models based on star network topological indices

Cristian Robert Munteanu, Humberto González-Díaz, Fernanda Borges, 2008, Journal of Theoretical Biology.

Biopolymer stochastic moments. I. Modeling human rhinovirus cellular recognition with protein surface electrostatic moments

Humberto González-Díaz, Eugenio Uriarte, E. Uriarte, 2005, Biopolymers.

Self-Assembled Binary Nanoscale Systems: Multioutput Model with LFER-Covariance Perturbation Theory and an Experimental-Computational Study of NaGDC-DDAB Micelles.

Humberto González-Díaz, Juan M Ruso, Paula V Messina, 2015, Langmuir : the ACS journal of surfaces and colloids.

Enzymes/non-enzymes classification model complexity based on composition, sequence, 3D and topological indices.

Cristian R. Munteanu, Humberto González-Díaz, C. Munteanu, 2008, Journal of theoretical biology.

Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

Humberto González-Díaz, Francisco J. Prado-Prado, Xerardo García-Mera, 2014, International journal of molecular sciences.

Computational ecotoxicology: simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2014, Environment international.

Unified QSAR approach to antimicrobials. Part 2: predicting activity against more than 90 different species in order to halt antibacterial resistance.

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2007, Bioorganic & medicinal chemistry.

Model for high-throughput screening of drug immunotoxicity--study of the anti-microbial G1 over peritoneal macrophages using flow cytometry.

Humberto González-Díaz, Nilo Castañedo, Xerardo García-Mera, 2014, European journal of medicinal chemistry.

Multi-output Model with Box-Jenkins Operators of Quadratic Indices for Prediction of Malaria and Cancer Inhibitors Targeting Ubiquitin- Proteasome Pathway (UPP) Proteins.

Yovani Marrero-Ponce, Huong Le-Thi-Thu, Facundo Pérez-Giménez, 2016, Current protein & peptide science.

Stochastic molecular descriptors for polymers. 2. Spherical truncation of electrostatic interactions

Rafael Molina, Humberto González-Díaz, Eugenio Uriarte, 2005 .

QSAR study for mycobacterial promoters with low sequence homology.

Humberto González-Díaz, Eugenio Uriarte, Yenny González-Díaz, 2006, Bioorganic & medicinal chemistry letters.

MIANN models in medicinal, physical and organic chemistry.

Sonia Arrasate, Nuria Sotomayor, Esther Lete, 2013, Current topics in medicinal chemistry.

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

Humberto González-Díaz, Yagamare Fall, Isela García, 2011, Molecular Diversity.

Experimental and computational studies of fatty acid distribution networks.

Alejandro Pazos, Cristian R Munteanu, Humberto González-Díaz, 2015, Molecular bioSystems.

Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2008, Journal of medicinal chemistry.

ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds.

Rafael Bello, Isis Bonet, Lourdes Santana, 2007, European journal of medicinal chemistry.

Chiral Brønsted Acid‐Catalyzed Enantioselective α‐Amidoalkylation Reactions: A Joint Experimental and Predictive Study

Eider Aranzamendi, Sonia Arrasate, Nuria Sotomayor, 2016, ChemistryOpen.

Data Analysis in Chemistry and Bio-Medical Sciences

Roberto Todeschini, Sonia Arrasate, Alejandro Pazos, 2016, International journal of molecular sciences.

HP-Lattice QSAR for dynein proteins: experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence.

Kuo-Chen Chou, Yunierkis Pérez-Castillo, Humberto González-Díaz, 2008, Bioorganic & medicinal chemistry.

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.

Joëlle Quetin-Leclercq, Cristian R Munteanu, Humberto González-Díaz, 2011, Journal of theoretical biology.

QSAR study of anticoccidial activity for diverse chemical compounds: prediction and experimental assay of trans-2-(2-nitrovinyl)furan.

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2007, Bioorganic & medicinal chemistry.

Predicting stability of Arc repressor mutants with protein stochastic moments.

Humberto González-Díaz, Eugenio Uriarte, E. Uriarte, 2005, Bioorganic & medicinal chemistry.

Alignment-Free Models in Plant Genomics: Theoretical, Experimental, and Legal Issues

Kuo-Chen Chou, Cristian R. Munteanu, Aliuska Duardo-Sanchez, 2010 .

Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors.

Paola Brun, Humberto González-Díaz, Eugenio Uriarte, 2011, European journal of medicinal chemistry.

General theory for multiple input-output perturbations in complex molecular systems. 1. Linear QSPR electronegativity models in physical, organic, and medicinal chemistry.

Sonia Arrasate, Nuria Sotomayor, Esther Lete, 2013, Current topics in medicinal chemistry.

Unified drug-target interaction thermodynamic Markov model using stochastic entropies to predict multiple drugs side effects.

Maykel Cruz-Monteagudo, Humberto González-Díaz, H. González-Díaz, 2005, European journal of medicinal chemistry.

QSAR for RNases and theoretic–experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein

Guillermín Agüero-Chapín, Humberto González-Díaz, Francisco J. Prado-Prado, 2009, Molecular Diversity.

Mitoprotective activity of oxidized carbon nanotubes against mitochondrial swelling induced in multiple experimental conditions and predictions with new expected-value perturbation theory

Humberto González-Díaz, Michael González-Durruthy, Zeki Naal, 2015 .

Model for high-throughput screening of multitarget drugs in chemical neurosciences: synthesis, assay, and theoretic study of rasagiline carbamates.

Feng Luan, Humberto González-Díaz, Xerardo García-Mera, 2013, ACS chemical neuroscience.

Recognition of stable protein mutants with 3D stochastic average electrostatic potentials

Humberto González-Díaz, Eugenio Uriarte, Reinaldo Molina, 2005, FEBS letters.

QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices.

Maykel Cruz-Monteagudo, Lourdes Santana, Humberto González-Díaz, 2005, Bioorganic & medicinal chemistry letters.

Perturbation theory model of reactivity and enantioselectivity of palladium-catalyzed Heck–Heck cascade reactions

Eider Aranzamendi, Nuria Sotomayor, Esther Lete, 2016 .

2D RNA-QSAR: assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L.

Humberto González-Díaz, Eugenio Uriarte, Reinaldo Molina, 2005, Bioorganic & medicinal chemistry letters.

QSAR Models for Proteins of Parasitic Organisms, Plants and Human Guests: Theory, Applications, Legal Protection, Taxes, and Regulatory Issues

Aliuska Duardo-Sanchez, Humberto González-Díaz, Francisco J. Prado-Prado, 2009 .

Markov mean properties for cell death-related protein classification.

Carlos Fernandez-Lozano, Marcos Gestal, Alejandro Pazos, 2014, Journal of theoretical biology.

Alignment-free prediction of polygalacturonases with pseudofolding topological indices: experimental isolation from Coffea arabica and prediction of a new sequence.

Humberto González-Díaz, Eugenio Uriarte, Agostinho Antunes, 2009, Journal of proteome research.

Multi-target spectral moment: QSAR for antiviral drugs vs. different viral species.

Humberto González-Díaz, Eugenio Uriarte, L. G. Pérez-Montoto, 2009, Analytica chimica acta.

Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices

Cristian Robert Munteanu, Humberto González-Díaz, Eugenio Uriarte, 2008, Journal of Theoretical Biology.

Proteins QSAR with Markov average electrostatic potentials.

Humberto González-Díaz, Eugenio Uriarte, E. Uriarte, 2005, Bioorganic & medicinal chemistry letters.

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.

Humberto González-Díaz, Florencio M Ubeira, Xerardo García-Mera, 2011, European journal of medicinal chemistry.

Multi-target spectral moment: QSAR for antifungal drugs vs. different fungi species.

Humberto González-Díaz, L. G. Pérez-Montoto, Fernanda Borges, 2009, European journal of medicinal chemistry.

Editorial [Hot Topic: Quantitative studies on Structure-Activity and Structure-Property Relationships (QSAR/QSPR) (Guest Editor: Humberto Gonzalez-Diaz)]

Humberto González-Díaz, Humberto González-Díaz, 2008 .

Markov entropy backbone electrostatic descriptors for predicting proteins biological activity.

Humberto González-Díaz, Eugenio Uriarte, Reinaldo Molina, 2004, Bioorganic & medicinal chemistry letters.

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.

Humberto González-Díaz, Xerardo García-Mera, Francisco J Prado-Prado, 2010, Bioorganic & medicinal chemistry.

Mapping networks of anti-HIV drug cocktails vs. AIDS epidemiology in the US counties

Alejandro Pazos, Humberto González-Díaz, Diana María Herrera-Ibatá, 2014 .

Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies

Maykel Cruz-Monteagudo, Lourdes Santana, Humberto González-Díaz, 2007 .

Editorial [Hot topic: QSAR and Complex Networks in Pharmaceutical Design, Microbiology, Parasitology, Toxicology, Cancer and Neurosciences (Executive Editor: Humberto Gonzalez-Diaz)]

Humberto González-Díaz, 2010 .

Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity.

Humberto González-Díaz, Nilo Castañedo, Xerardo García-Mera, 2013, Current topics in medicinal chemistry.

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.

Miguel A. Cabrera, Giovanna Delogu, Lourdes Santana, 2005, Bioorganic & medicinal chemistry letters.

Prediction of enzyme classes from 3D structure: a general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins.

Gianni Podda, Humberto González-Díaz, Eugenio Uriarte, 2009, Journal of proteome research.

Scoring function for DNA–drug docking of anticancer and antiparasitic compounds based on spectral moments of 2D lattice graphs for molecular dynamics trajectories

Lourdes Santana, Humberto González-Díaz, L. G. Pérez-Montoto, 2009, European Journal of Medicinal Chemistry.

3D QSAR Markov model for drug-induced eosinophilia--theoretical prediction and preliminary experimental assay of the antimicrobial drug G1.

Lourdes Santana, Humberto González-Díaz, Eugenio Uriarte, 2005, Bioorganic & medicinal chemistry.