
Julio Caballero Profesor claustro
Publicaciones destacadas
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Insights into the interactions between maleimide derivates and GSK3β combining molecular docking and QSAR
- Quesada-Romero, L.
- Mena-Ulecia, K.
- Tiznado, W.
- Caballero, J.
PLoS ONE, 2014, 9 (7)
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Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: The protein kinase case
- Adasme-Carreño, F.
- Muñoz-Gutierrez, C.
- Caballero, J.
- Alzate-Morales, J.H.
Physical Chemistry Chemical Physics, 2014, 16 (27), pp 14047–14058
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Study of the affinity between the protein kinase PKA and peptide substrates derived from kemptide using molecular dynamics simulations and MM/GBSA
- Mena-Ulecia, K.
- Vergara-Jaque, A.
- Poblete, H.
- Tiznado, W.
- Caballero, J.
PLoS ONE, 2014, 9 (10)
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Ultrasound-assisted phase-transfer catalysis method in an aqueous medium to promote the Knoevenagel reaction: Advantages over the conventional and microwave-assisted solvent-free/catalyst-free method Dedicated to the memory of Professor Luis Astudillo Saavedra for his scientific career, support and fraternity.
- De-La-Torre, P.
- Osorio, E.
- Alzate-Morales, J.H.
- Caballero, J.
- Trilleras, J.
- Astudillo-Saavedra, L.
- Brito, I.
- Cárdenas, A.
- Quiroga, J.
- Gutiérrez, M.
Ultrasonics Sonochemistry, 2014, 21 (5), pp 1666–1674
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In silico comparison of antimycobacterial natural products with known antituberculosis drugs
- Espinoza-Moraga, M.
- Njuguna, N.M.
- Mugumbate, G.
- Caballero, J.
- Chibale, K.
Journal of Chemical Information and Modeling, 2013, 53 (3), pp 649–660
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Molecular dynamics of protein kinase-inhibitor complexes: A valid structural information
Current Pharmaceutical Design, 2012, 18 (20), pp 2946–2963
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Synthesis, in silico, in vitro, and in vivo investigation of 5-[ 11C]methoxy-substituted sunitinib, a tyrosine kinase inhibitor of VEGFR-2
- Caballero, J.
- Muñoz, C.
- Alzate-Morales, J.H.
- Cunha, S.
- Gano, L.
- Bergmann, R.
- Steinbach, J.
- Kniess, T.
European Journal of Medicinal Chemistry, 2012, 58, pp 272–280
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Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)
- Fernandez, M.
- Caballero, J.
- Fernandez, L.
- Sarai, A.
Molecular Diversity, 2011, 15 (1), pp 269–289
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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
- Caballero, J.
- Alzate-Morales, J.H.
- Vergara-Jaque, A.
Journal of Chemical Information and Modeling, 2011, 51 (11), pp 2920–2931
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Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM
Journal of Chemical Information and Modeling, 2010, 50 (1), pp 110–122
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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
- Alzate-Morales, J.H.
- Vergara-Jaque, A.
- Caballero, J.
Journal of Chemical Information and Modeling, 2010, 50 (6), pp 1101–1112
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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
- Alzate-Morales, J.H.
- Caballero, J.
- Jague, A.V.
- Nilo, F.D.G.
Journal of Chemical Information and Modeling, 2009, 49 (4), pp 886–899
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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)
- Caballero, J.
- Fernández, M.
Current Topics in Medicinal Chemistry, 2008, 8 (18), pp 1580–1605