Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of … FJ Prado-Prado, H González-Díaz, OM de la Vega, FM Ubeira, KC Chou Bioorganic & medicinal chemistry 16 (11), 5871-5880, 2008 | 227 | 2008 |
Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach H González-Díaz, F Prado-Prado, FM Ubeira Current topics in medicinal chemistry 8 (18), 1676-1690, 2008 | 180 | 2008 |
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species FJ Prado-Prado, X García-Mera, H González-Díaz Bioorganic & medicinal chemistry 18 (6), 2225-2231, 2010 | 155 | 2010 |
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 FJ Prado-Prado, OM de la Vega, E Uriarte, FM Ubeira, KC Chou, ... Bioorganic & medicinal chemistry 17 (2), 569-575, 2009 | 132 | 2009 |
Unified QSAR and network‐based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals H GonzÁlez‐DÍaz, FJ Prado‐Prado Journal of computational chemistry 29 (4), 656-667, 2008 | 126 | 2008 |
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 … H González-Díaz, F Prado-Prado, X García-Mera, N Alonso, P Abeijón, ... Journal of proteome research 10 (4), 1698-1718, 2011 | 108 | 2011 |
Review of MARCH-INSIDE & complex networks prediction of drugs: ADMET, anti-parasite activity, metabolizing enzymes and cardiotoxicity proteome biomarkers H Gonzalez-Diaz, A Duardo-Sanchez, F M Ubeira, F Prado-Prado, ... Current drug metabolism 11 (4), 379-406, 2010 | 101 | 2010 |
Unified QSAR approach to antimicrobials. Part 2: predicting activity against more than 90 different species in order to halt antibacterial resistance FJ Prado-Prado, H González-Díaz, L Santana, E Uriarte Bioorganic & medicinal chemistry 15 (2), 897-902, 2007 | 92 | 2007 |
Prediction of enzyme classes from 3D structure: a general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins R Concu, MA Dea-Ayuela, LG Perez-Montoto, F Bolas-Fernandez, ... Journal of Proteome Research 8 (9), 4372-4382, 2009 | 91 | 2009 |
Multi-target spectral moments for QSAR and complex networks study of antibacterial drugs FJ Prado-Prado, E Uriarte, F Borges, H González-Díaz European journal of medicinal chemistry 44 (11), 4516-4521, 2009 | 88 | 2009 |
Unify QSAR approach to antimicrobials. Part 1: predicting antifungal activity against different species H González-Díaz, FJ Prado-Prado, L Santana, E Uriarte Bioorganic & medicinal chemistry 14 (17), 5973-5980, 2006 | 84 | 2006 |
3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in Leishmania parasites R Concu, MA Dea-Ayuela, LG Perez-Montoto, FJ Prado-Prado, E Uriarte, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1794 (12), 1784-1794, 2009 | 83 | 2009 |
Trypano-PPI: A web server for prediction of unique targets in trypanosome proteome by using electrostatic parameters of protein− protein interactions Y Rodriguez-Soca, CR Munteanu, J Dorado, A Pazos, FJ Prado-Prado, ... Journal of proteome research 9 (2), 1182-1190, 2010 | 80 | 2010 |
Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications and legal issues H Gonzalez-Diaz, F Romaris, A Duardo-Sanchez, L G Perez-Montoto, ... Current pharmaceutical design 16 (24), 2737-2764, 2010 | 77 | 2010 |
ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen E Tenorio-Borroto, CGP Rivas, JCV Chagoyán, N Castañedo, ... Bioorganic & medicinal chemistry 20 (20), 6181-6194, 2012 | 73 | 2012 |
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 F Prado-Prado, X García-Mera, P Abeijón, N Alonso, O Caamaño, ... European journal of medicinal chemistry 46 (4), 1074-1094, 2011 | 72 | 2011 |
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 … F Prado-Prado, X García-Mera, M Escobar, E Sobarzo-Sánchez, M Yañez, ... European journal of medicinal chemistry 46 (12), 5838-5851, 2011 | 67 | 2011 |
Multi-target spectral moment: QSAR for antifungal drugs vs. different fungi species FJ Prado-Prado, F Borges, LG Perez-Montoto, H González-Díaz European journal of medicinal chemistry 44 (10), 4051-4056, 2009 | 64 | 2009 |
New Markov–Shannon Entropy models to assess connectivity quality in complex networks: From molecular to cellular pathway, Parasite–Host, Neural, Industry, and Legal–Social networks P Riera-Fernandez, CR Munteanu, M Escobar, F Prado-Prado, ... Journal of theoretical biology 293, 174-188, 2012 | 58 | 2012 |
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 H González-Díaz, F Prado-Prado, E Sobarzo-Sánchez, M Haddad, ... Journal of theoretical biology 276 (1), 229-249, 2011 | 57 | 2011 |