Julio Caballero

发表

New Insights into the Opening of the Occluded Ligand-Binding Pocket of Sigma1 Receptor: Binding of a Novel Bivalent RC-33 Derivative

Giacomo Rossino, Ivana Orellana, Julio Caballero, 2019, J. Chem. Inf. Model..

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..

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..

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..

In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs

Julio Caballero, Marlene Espinoza-Moraga, Nicholas M. Njuguna, 2013, J. Chem. Inf. Model..

Docking and quantitative structure–activity relationship studies for 3-fluoro-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yloxy)aniline, 3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline, and 4-(4-amino-2-fluorophenoxy)-2-pyridinylamine derivatives as c-Met kinase inhibitors

Mirko Zimic, Julio Caballero, Miguel Quiliano, 2011, J. Comput. Aided Mol. Des..

GUIA COMERCIAL DE FUSAGASUGÁ

Julio Caballero, Yesid Camilo, 2017 .

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.

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.

Investigation of the Differences in Activity between Hydroxycycloalkyl N1 Substituted Pyrazole Derivatives As Inhibitors of B-Raf Kinase by Using Docking, Molecular Dynamics, QM/MM, and Fragment-Based De Novo Design: Study of Binding Mode of Diastereomer Compounds

Julio Caballero, Ariela Vergara Jaque, Jans H. Alzate-Morales, 2011, J. Chem. Inf. Model..

Computational Study on the Interaction of N1 Substituted Pyrazole Derivatives with B-Raf Kinase: An Unusual Water Wire Hydrogen-Bond Network and Novel Interactions at the Entrance of the Active Site

Julio Caballero, Ariela Vergara Jaque, Jans H. Alzate-Morales, 2010, J. Chem. Inf. Model..

BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations

Julio Caballero, Luis Alberto Montero-Cabrera, Roy González-Alemán, 2020, J. Chem. Inf. Model..

The Dynamic Nonprime Binding of Sampatrilat to the C-Domain of Angiotensin-Converting Enzyme

Julio Caballero, Marlene Espinoza-Moraga, Kelly Chibale, 2016, J. Chem. Inf. Model..

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.

Study of the affinity between the protein kinase PKA and homoarginine‐containing peptides derived from kemptide: Free energy perturbation (FEP) calculations

Julio Caballero, Ariela Vergara Jaque, Karel Mena-Ulecia, 2018, J. Comput. Chem..

Insights into the Structural Basis of N2 and O6 Substituted Guanine Derivatives as Cyclin-Dependent Kinase 2 (CDK2) Inhibitors: Prediction of the Binding Modes and Potency of the inhibitors by Docking and ONIOM Calculations

Fernando D. González Nilo, Julio Caballero, Ariela Vergara Jaque, 2009, J. Chem. Inf. Model..

Computational Study of the Interactions between Guanine Derivatives and Cyclin-Dependent Kinase 2 (CDK2) by CoMFA and QM/MM

Julio Caballero, Jans H. Alzate-Morales, Julio Caballero, 2010, J. Chem. Inf. Model..

Mycobacterium tuberculosis serine/threonine protein kinases: structural information for the design of their specific ATP-competitive inhibitors

Julio Caballero, Alejandro Morales-Bayuelo, Carlos Navarro-Retamal, 2018, Journal of Computer-Aided Molecular Design.

PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations

Julio Caballero, Francisco Adasme-Carreño, Joel Ireta, 2021, J. Chem. Inf. Model..

BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics

Julio Caballero, Fabrice Leclerc, Roy González-Alemán, 2021, Bioinform..

Binding Studies and Quantitative Structure–Activity Relationship of 3‐Amino‐1H‐Indazoles as Inhibitors of GSK3β

Julio Caballero, Simona Collina, William Tiznado, 2011, Chemical biology & drug design.

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

Julio Caballero, Michael Fernández, M. Fernández, 2007, 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 .

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.

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.

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.

Docking and Quantitative Structure–Activity Relationship Studies for the Bisphenylbenzimidazole Family of Non‐Nucleoside Inhibitors of HIV‐1 Reverse Transcriptase

Julio Caballero, Fernando D Gonzalez-Nilo, Tomas Perez-Acle, 2008, Chemical biology & drug design.

Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA

Julio Caballero, Karel Mena-Ulecia, William Tiznado, 2015, PloS one.

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.

3D-QSAR (CoMFA and CoMSIA) and pharmacophore (GALAHAD) studies on the differential inhibition of aldose reductase by flavonoid compounds.

Julio Caballero, Julio Caballero, 2010, Journal of molecular graphics & modelling.

Proteochemometric Modeling of the Inhibition Complexes of Matrix Metalloproteinases with N‐Hydroxy‐2‐[(Phenylsulfonyl)Amino]Acetamide Derivatives Using Topological Autocorrelation Interaction Matrix and Model Ensemble Averaging

Julio Caballero, Michael Fernández, Leyden Fernández, 2008, 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.

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.

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.

Genetic Algorithm Optimization in Drug Design QSAR: Bayesian‐Regularized Genetic Neural Networks (BRGNN) and Genetic Algorithm‐Optimized Support Vectors Machines (GA‐SVM)

Julio Caballero, Michael Fernández, Leyden Fernández, 2011 .

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.

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.

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.

Docking and quantitative structure–activity relationship studies for imidazo[1,2-a]pyrazines as inhibitors of checkpoint kinase-1

Julio Caballero, Simona Collina, William Tiznado, 2011, Medicinal Chemistry Research.

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.

Computational Studies of Snake Venom Toxins

Julio Caballero, Quentin Kaas, David Ramírez, 2017, Toxins.

The pH sensor of the plant K+-uptake channel KAT1 is built from a sensory cloud rather than from single key amino acids.

Julio Caballero, Jans H Alzate-Morales, Ingo Dreyer, 2012, The Biochemical journal.

Computational study of the binding orientation and affinity of PPARγ agonists: inclusion of ligand-induced fit by cross-docking

Julio Caballero, Francisco Adasme-Carreño, Camila Muñoz-Gutierrez, 2016 .

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.

Discovery of Novel TASK-3 Channel Blockers Using a Pharmacophore-Based Virtual Screening

Julio Caballero, David Ramírez, Miguel Reyes-Parada, 2019, International journal of molecular sciences.

Analyzing torquoselectivity in electrocyclic ring opening reactions of trans-3,4-dimethylcyclobutene and 3-formylcyclobutene through electronic structure principles.

Julio Caballero, Pratim K Chattaraj, Sudip Pan, 2015, Physical chemistry chemical physics : PCCP.

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.

Chlorogenic Acid Inhibits Human Platelet Activation and Thrombus Formation

Julio Caballero, Eduardo Fuentes, Armando Rojas, 2014, PloS one.

Study of interaction energies between the PAMAM dendrimer and nonsteroidal anti-inflammatory drug using a distributed computational strategy and experimental analysis by ESI-MS/MS.

Julio Caballero, Claudia Sandoval, Raúl E Cachau, 2012, The journal of physical chemistry. B.

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.

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.

Association of nicotinic acid with a poly(amidoamine) dendrimer studied by molecular dynamics simulations.

Julio Caballero, Jans H. Alzate-Morales, Horacio Poblete, 2013, Journal of molecular graphics & modelling.

Is It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?

Julio Caballero, Julio Caballero, D. Ramírez, 2016, International journal of molecular sciences.

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.

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

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