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Browsing by Author "Vergara-Jaque, A."

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Issue DateTitleAuthor(s)
6-Jul-2013 Computationally Efficient Methodology for Atomic-Level Characterization of Dendrimer-Drug Complexes: A Comparison of Amine- and Acetyl-Terminated PAMAMVergara-Jaque, A.; Comer, J; Monsalve, L; Gonzalez-Nilo, F.D.
Dec-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 CompoundsCaballero, J.; Alzate-Morales, J.H.; Vergara-Jaque, A.
19-Sep-2012 K+ Conduction and Mg2+ Blockade in a Shaker Kv-Channel Single Point Mutant with an Unusually High ConductanceMoscoso, C.; Vergara-Jaque, A.; Márquez-Miranda, V.; Sepúlveda, R.V.; Valencia, I.; Díaz-Franulic, I.; González-Nilo, F.; Naranjo, D.
2012 Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulationsMunoz, C.; Adasme, F.; Alzate-Morales, J.H.; Vergara-Jaque, A.; Kniess, T.; Caballero, J.
2-Oct-2014 Study of the Affinity between the Protein Kinase PKA and Peptide Substrates Derived from Kemptide Using Molecular Dynamics Simulations and MM/GBSAMena-Ulecia, K.; Vergara-Jaque, A.; Poblete, H.; Tiznado, W.; Caballero, J.
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