Julio Caballero

◀ ▶ joint publications with Jans H. Alzate-Morales

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Publications

2020
[j13]
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  - journals/jcisd/KleinCCTCAP20
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Florencia Klein, Daniela Cáceres, Mónica A. Carrasco, Juan Carlos Tapia, Julio Caballero, Jans H. Alzate-Morales, Sergio Pantano:
Coarse-Grained Parameters for Divalent Cations within the SIRAH Force Field. J. Chem. Inf. Model. 60(8): 3935-3943 (2020)
2011
[j8]
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  - journals/jcamd/CaballeroQAZD11
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Julio Caballero, Miguel Quiliano, Jans H. Alzate-Morales, Mirko Zimic, Eric Deharo:
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. J. Comput. Aided Mol. Des. 25(4): 349-369 (2011)
[j7]
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Julio Caballero, Jans H. Alzate-Morales, Ariela Vergara Jaque:
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. J. Chem. Inf. Model. 51(11): 2920-2931 (2011)
2010
[j6]
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  - journals/jcisd/Alzate-MoralesC10
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Jans H. Alzate-Morales, Julio Caballero:
Computational Study of the Interactions between Guanine Derivatives and Cyclin-Dependent Kinase 2 (CDK2) by CoMFA and QM/MM. J. Chem. Inf. Model. 50(1): 110-122 (2010)
[j5]
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Jans H. Alzate-Morales, Ariela Vergara Jaque, Julio Caballero:
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. J. Chem. Inf. Model. 50(6): 1101-1112 (2010)
2009
[j4]
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  - journals/jcisd/Alzate-MoralesCJN09
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Jans H. Alzate-Morales, Julio Caballero, Ariela Vergara Jaque, Fernando D. González Nilo:
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. J. Chem. Inf. Model. 49(4): 886-899 (2009)

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