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Jans H Alzate-Morales

Showing results (1-10 of 20) with videos related to

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Current Pharmaceutical Design|May 11, 2012
Molecular dynamics of protein kinase-inhibitor complexes: a valid structural informationJulio Caballero, Jans H Alzate-Morales
Journal of Chemical Information and Modeling|June 8, 2010
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 siteJans H Alzate-Morales, Ariela Vergara-Jaque, Julio Caballero
Journal of Chemical Information and Modeling|October 21, 2011
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 compoundsJulio Caballero, Jans H Alzate-Morales, Ariela Vergara-Jaque
Journal of Molecular Graphics & Modelling|December 11, 2012
Association of nicotinic acid with a poly(amidoamine) dendrimer studied by molecular dynamics simulationsJulio Caballero, Horacio Poblete, Cristell Navarro, et al.
Biophysical Journal|November 7, 2006
A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological activityJans H Alzate-Morales, Renato Contreras, Alejandro Soriano, et al.
Physical Chemistry Chemical Physics : PCCP|June 6, 2014
Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: the protein kinase caseFrancisco Adasme-Carreño, Camila Muñoz-Gutierrez, Julio Caballero, et al.
Journal of Computer-Aided Molecular Design|April 14, 2011
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 inhibitorsJulio Caballero, Miguel Quiliano, Jans H Alzate-Morales, et al.
Journal of Chemical Information and Modeling|March 28, 2009
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 calculationsJans H Alzate-Morales, Julio Caballero, Ariela Vergara Jague, et al.
Plos One|September 5, 2019
Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM studyRodrigo Recabarren, Edison H Osorio, Julio Caballero, et al.
The Journal of Physical Chemistry. B|March 29, 2007
Theoretical study on CDK2 inhibitors using a global softness obtained from the density of statesJans H Alzate-Morales, William Tiznado, Juan C Santos, et al.
Pageof 2

Showing results (1-10 of 20) with videos related to

Sort By:
Pageof 2
Current Pharmaceutical Design|May 11, 2012
Molecular dynamics of protein kinase-inhibitor complexes: a valid structural informationJulio Caballero, Jans H Alzate-Morales
Journal of Chemical Information and Modeling|June 8, 2010
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 siteJans H Alzate-Morales, Ariela Vergara-Jaque, Julio Caballero
Journal of Chemical Information and Modeling|October 21, 2011
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 compoundsJulio Caballero, Jans H Alzate-Morales, Ariela Vergara-Jaque
Journal of Molecular Graphics & Modelling|December 11, 2012
Association of nicotinic acid with a poly(amidoamine) dendrimer studied by molecular dynamics simulationsJulio Caballero, Horacio Poblete, Cristell Navarro, et al.
Biophysical Journal|November 7, 2006
A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological activityJans H Alzate-Morales, Renato Contreras, Alejandro Soriano, et al.
Physical Chemistry Chemical Physics : PCCP|June 6, 2014
Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: the protein kinase caseFrancisco Adasme-Carreño, Camila Muñoz-Gutierrez, Julio Caballero, et al.
Journal of Computer-Aided Molecular Design|April 14, 2011
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 inhibitorsJulio Caballero, Miguel Quiliano, Jans H Alzate-Morales, et al.
Journal of Chemical Information and Modeling|March 28, 2009
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 calculationsJans H Alzate-Morales, Julio Caballero, Ariela Vergara Jague, et al.
Plos One|September 5, 2019
Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM studyRodrigo Recabarren, Edison H Osorio, Julio Caballero, et al.
The Journal of Physical Chemistry. B|March 29, 2007
Theoretical study on CDK2 inhibitors using a global softness obtained from the density of statesJans H Alzate-Morales, William Tiznado, Juan C Santos, et al.
Pageof 2