M. Fernández

发表

Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)

A. Sarai, M. Fernández, Julio Caballero, 2011, Molecular Diversity.

Classification of conformational stability of protein mutants from 3D pseudo‐folding graph representation of protein sequences using support vector machines

M. Fernández, Julio Caballero, L. Fernández, 2007, Proteins.

Classification of voltage-gated K(+) ion channels from 3D pseudo-folding graph representation of protein sequences using genetic algorithm-optimized support vector machines.

M. Fernández, L. Fernández, M. Garriga, 2008, Journal of molecular graphics & modelling.

Proteometric study of ghrelin receptor function variations upon mutations using amino acid sequence autocorrelation vectors and genetic algorithm-based least square support vector machines.

M. Fernández, Julio Caballero, L. Fernández, 2007, Journal of molecular graphics & modelling.

QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase.

M. Fernández, Julio Caballero, E. Castro, 2006, Bioorganic & medicinal chemistry.

QSAR modeling of matrix metalloproteinase inhibition by N-hydroxy-alpha-phenylsulfonylacetamide derivatives.

Julio Caballero, Michael Fernández, M. Fernández, 2007, Bioorganic & medicinal chemistry.

Modeling of activity of cyclic urea HIV-1 protease inhibitors using regularized-artificial neural networks.

Julio Caballero, Michael Fernández, M. Fernández, 2006, Bioorganic & medicinal chemistry.

2D Autocorrelation modeling of the negative inotropic activity of calcium entry blockers using Bayesian-regularized genetic neural networks.

Julio Caballero, Michael Fernández, Miguel Garriga, 2006, Bioorganic & medicinal chemistry.

Modeling of the inhibition constant (Ki) of some cruzain ketone-based inhibitors using 2D spatial autocorrelation vectors and data-diverse ensembles of Bayesian-regularized genetic neural networks

Julio Caballero, Michael Fernández, Alain Tundidor-Camba, 2007 .

Linear and nonlinear modeling of antifungal activity of some heterocyclic ring derivatives using multiple linear regression and Bayesian-regularized neural networks

Julio Caballero, Michael Fernández, M. Fernández, 2006, Journal of molecular modeling.

Modeling of farnesyltransferase inhibition by some thiol and non-thiol peptidomimetic inhibitors using genetic neural networks and RDF approaches.

Maykel Pérez González, Julio Caballero, Aliuska Morales Helguera, 2006, Bioorganic & medicinal chemistry.

Proteometric modelling of protein conformational stability using amino acid sequence autocorrelation vectors and genetic algorithm-optimised support vector machines

M. Fernández, Julio Caballero, L. Fernández, 2008 .

Classification of conformational stability of protein mutants from 2D graph representation of protein sequences using support vector machines

M. Fernández, L. Fernández, J. I. Abreu, 2007 .

Comparative modeling of the conformational stability of chymotrypsin inhibitor 2 protein mutants using amino acid sequence autocorrelation (AASA) and amino acid 3D autocorrelation (AA3DA) vectors and ensembles of Bayesian-regularized genetic neural networks

M. Fernández, Julio Caballero, L. Fernández, 2007 .

QSAR analysis for heterocyclic antifungals.

M. Fernández, Julio Caballero, E. Castro, 2007, Bioorganic & medicinal chemistry.

Modeling of the Inhibition of the Intermediate-Conductance Ca2+-Activated K+ Channel (IKCa1) by Some Triarylmethanes Using Quantum Chemical Properties Derived From Ab Initio Calculations

M. Fernández, Julio Caballero, 2008 .

Thermal stabilization of trypsin by enzymic modification with β‐cyclodextrin derivatives

M. Fernández, R. Villalonga, R. Cao, 2003, Biotechnology and applied biochemistry.

Analysis of protegrin structure–activity relationships: the structural characteristics important for antimicrobial activity using smoothed amino acid sequence descriptors

M. Fernández, Julio Caballero, J. Caballero, 2007 .

Quantitative Structure–Activity Relationship Modeling of Growth Hormone Secretagogues Agonist Activity of some Tetrahydroisoquinoline 1‐Carboxamides

M. Fernández, Julio Caballero, S. Collina, 2007, Chemical biology & drug design.

Stabilization of α-chymotrypsin by chemical modification with monoamine cyclodextrin

M. Fernández, R. Villalonga, R. Cao, 2005 .

α-Chymotrypsin stabilization by chemical conjugation with O-carboxymethyl-poly-β-cyclodextrin

M. Fernández, M. L. Villalonga, R. Villalonga, 2004 .

Stabilization of trypsin by chemical modification with β-cyclodextrin monoaldehyde

M. Fernández, M. L. Villalonga, R. Villalonga, 2002, Biotechnology Letters.

Effects of β‐cyclodextrin–dextran polymer on stability properties of trypsin

M. Fernández, Julio Caballero, M. L. Villalonga, 2003 .

Chemical conjugation of trypsin with monoamine derivatives of cyclodextrins: Catalytic and stability properties

M. Fernández, R. Villalonga, R. Cao, 2002 .

Large-scale recognition of high-affinity protease–inhibitor complexes using topological autocorrelation and support vector machines

Shandar Ahmad, Akinori Sarai, Michael Fernández, 2016 .

Effect of β-cyclodextrin-polysucrose polymer on the stability properties of soluble trypsin

M. Fernández, M. L. Villalonga, R. Villalonga, 2004 .

Improved functional properties of trypsin modified by monosubstituted amino-β-cyclodextrins

M. Fernández, R. Villalonga, R. Cao, 2003 .

Modeling of acetylcholinesterase inhibition by tacrine analogues using Bayesian-regularized Genetic Neural Networks and ensemble averaging

Julio Caballero, Michael Fernández, M Carmo Carreiras, 2006, Journal of enzyme inhibition and medicinal chemistry.

Effects of beta-cyclodextrin-dextran polymer on stability properties of trypsin.

M. Fernández, Julio Caballero, M. L. Villalonga, 2003, Biotechnology and bioengineering.

Transglutaminase-catalyzed synthesis of trypsin-cyclodextrin conjugates: kinetics and stability properties.

M. Fernández, R. Villalonga, R. Cao, 2003, Biotechnology and bioengineering.

2D Autocorrelation modeling of the activity of trihalobenzocycloheptapyridine analogues as farnesyl protein transferase inhibitors

Julio Caballero, Michael Fernández, Alain Tundidor-Camba, 2005 .

Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses.

Julio Caballero, Michael Fernández, M. Fernández, 2008, Bioorganic & medicinal chemistry.

Ensembles of Bayesian‐regularized Genetic Neural Networks for Modeling of Acetylcholinesterase Inhibition by Huprines

Julio Caballero, Michael Fernández, M. Fernández, 2006, Chemical biology & drug design.

Proteochemometric Recognition of Stable Kinase Inhibition Complexes Using Topological Autocorrelation and Support Vector Machines

Shandar Ahmad, Akinori Sarai, Michael Fernández, 2010, J. Chem. Inf. Model..

Evaluation of DNA intramolecular interactions for nucleosome positioning in yeast.

H. Kono, A. Sarai, M. Fernández, 2009, Genome informatics. International Conference on Genome Informatics.

Modeling of lattice parameters of the γ and γ′ phases of the superalloys with base nickel by using a multiple linear regression analysis

M. Fernández, L. Fernández, Yoslandy Lazo, 2009 .

Prediction of dinucleotide-specific RNA-binding sites in proteins

Shandar Ahmad, Kenji Mizuguchi, Akinori Sarai, 2011, BMC Bioinformatics.

QSAR models for predicting the activity of non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists derived from erythromycin A using quantum chemical properties

Julio Caballero, Michael Fernández, M. Fernández, 2007, Journal of molecular modeling.

Protein radial distribution function (P-RDF) and Bayesian-Regularized Genetic Neural Networks for modeling protein conformational stability: chymotrypsin inhibitor 2 mutants.

Julio Caballero, Michael Fernández, Miguel Garriga, 2007, Journal of molecular graphics & modelling.

Amino acid sequence autocorrelation vectors and bayesian‐regularized genetic neural networks for modeling protein conformational stability: Gene V protein mutants

Julio Caballero, Michael Fernández, Leyden Fernández, 2007, Proteins.

Identification of a potent and selective σ₁ receptor agonist potentiating NGF-induced neurite outgrowth in PC12 cells.

M. Fernández, Julio Caballero, L. Fernández, 2011, Bioorganic & medicinal chemistry.

Quantitative structure-activity relationship of rubiscolin analogues as delta opioid peptides using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA).

Julio Caballero, Michael Fernández, M. Fernández, 2007, Journal of agricultural and food chemistry.

Recognition of drug-target interaction patterns using genetic algorithm-optimized Bayesian-regularized neural networks and support vector machines

Shandar Ahmad, Akinori Sarai, Michael Fernández, 2009, 2009 IEEE International Conference on Systems, Man and Cybernetics.

Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds.

Maykel Pérez González, Julio Caballero, Eduardo A Castro, 2005, Bioorganic & medicinal chemistry.

A CoMSIA study on the adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues.

Julio Caballero, Michael Fernández, M. Fernández, 2008, Bioorganic & medicinal chemistry.

Bayesian-regularized genetic neural networks applied to the modeling of non-peptide antagonists for the human luteinizing hormone-releasing hormone receptor.

Julio Caballero, Michael Fernández, M. Fernández, 2006, Journal of molecular graphics & modelling.

2D Autocorrelation, CoMFA, and CoMSIA modeling of protein tyrosine kinases' inhibition by substituted pyrido[2,3-d]pyrimidine derivatives.

Julio Caballero, Michael Fernández, M. Fernández, 2008, Bioorganic & medicinal chemistry.

Genetic neural network modeling of the selective inhibition of the intermediate-conductance Ca2+-activated K+ channel by some triarylmethanes using topological charge indexes descriptors

Julio Caballero, Michael Fernández, Miguel Garriga, 2005, J. Comput. Aided Mol. Des..

Modeling of Cyclin-Dependent Kinase Inhibition by 1H-Pyrazolo[3, 4-d]Pyrimidine Derivatives Using Artificial Neural Network Ensembles

Julio Caballero, Michael Fernández, Alain Tundidor-Camba, 2005, J. Chem. Inf. Model..

Linear and nonlinear QSAR study of N-hydroxy-2-[(phenylsulfonyl)amino]acetamide derivatives as matrix metalloproteinase inhibitors.

Julio Caballero, Michael Fernández, Alain Tundidor-Camba, 2006, Bioorganic & medicinal chemistry.

2D Autocorrelation Modelling of the Inhibitory Activity of Cytokinin-Derived Cyclin-Dependent Kinase Inhibitors

Julio Caballero, Michael Fernández, Miguel Garriga, 2006, Bulletin of mathematical biology.

Amino Acid Sequence Autocorrelation Vectors and Ensembles of Bayesian-Regularized Genetic Neural Networks for Prediction of Conformational Stability of Human Lysozyme Mutants

José Ignacio Abreu Salas, Julio Caballero, Michael Fernández, 2006, J. Chem. Inf. Model..

Quantitative Structure–Activity Relationship of Organosulphur Compounds as Soybean 15‐Lipoxygenase Inhibitors Using CoMFA and CoMSIA

M. Fernández, Julio Caballero, D. Coll, 2010, Chemical biology & drug design.

Artificial neural networks from MATLAB in medicinal chemistry. Bayesian-regularized genetic neural networks (BRGNN): application to the prediction of the antagonistic activity against human platelet thrombin receptor (PAR-1).

Julio Caballero, Michael Fernández, M. Fernández, 2008, Current topics in medicinal chemistry.

Docking and quantitative structure–activity relationship studies for sulfonyl hydrazides as inhibitors of cytosolic human branched-chain amino acid aminotransferase

Julio Caballero, Michael Fernández, M. Fernández, 2009, Molecular Diversity.

Functional properties and application in peptide synthesis of trypsin modified with cyclodextrin-containing dicarboxylic acids

M. Fernández, R. Villalonga, R. Cao, 2004 .