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Browsing by Author "Caballero, J."

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Showing results 14 to 27 of 27
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Issue DateTitleAuthor(s)
Oct-2011 Identification of a potent and selective sigma(1) receptor agonist potentiating NGF-induced neurite outgrowth in PC12 cellsRossi, D.; Pedrali, A.; Urbano, M.; Gaggeri, R.; Serra, M.; Fernandez, L.; Fernandez, M.; Caballero, J.; Ronsisvalle, S.; Prezzavento, O.; Schepmann, D.; Wuensch, B.; Peviani, M.; Curti, D.; Azzolina, O.; Collina, S.
Mar-2011 Insights into the structure of urea-like compounds as inhibitors of the juvenile hormone epoxide hydrolase (JHEH) of the tobacco hornworm Manduca sexta: Analysis of the binding modes and structure-activity relationships of the inhibitors by docking and CoMFA calculationsGarriga, M.; Caballero, J.
Mar-2013 In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis DrugsEspinoza-Moraga, M.; Njuguna, N.M. M.; Mugumbate, G.; Caballero, J.; Chibale, K.
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.
2012 Models of the pharmacophoric pattern and affinity trend of methyl 2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate derivatives as sigma(1) ligandsCaballero, J.; Zilocchi, S.; Tiznado, W.; Rossi, D.; Collina, S.
Sep-2012 The pH sensor of the plant K plus uptake channel KAT1 is built from a sensory cloud rather than from single key amino acidsGonzalez, W.; Riedelsberger, J.; Morales-Navarro, S.E.; Caballero, J.; Alzate-Morales, J.H.; Gonzalez-Nilo, F.D.; Dreyer, I.
Feb-2012 The pH sensor of the plant K+-uptake channel KAT1 is built from a sensory cloud rather than from single key amino acidsGonzalez, W.; Riedelsberger, J.; Morales-Navarro, S.E.; Caballero, J.; Alzate-Morales, J.H.; Gonzalez-Nilo, F.D.; Dreyer, I.
2008 Proteometric modelling of protein conformational stability using amino acid sequence autocorrelation vectors and genetic algorithm-optimised support vector machinesFernandez, M.; Fernandez, L.; Sanchez, P.; Caballero, J.; Abreu, J.I.
2007 QSAR modeling of matrix metalloproteinase inhibition by N-hydroxy-alpha-phenylsulfonylacetamide derivativesFernandez, M.; Caballero, J.
2007 Quantitative structure-activity relationship of rubiscolin analogues as delta opioid peptides using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA)Caballero, J.; Saavedera, M.; Fernandez, M.; Gonzalez-Nilo, F.
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.
Feb-2012 Study of Interaction Energies between the PAMAM Dendrimer and Nonsteroidal Anti-Inflammatory Drug Using a Distributed Computational Strategy and Experimental Analysis by ESI-MS/MSAvila-Salas, F.; Sandoval, C.; Caballero, J.; Guinez-Molinos, S.; Santos, L.S.; Cachau, R.E.; Gonzalez-Nilo, F.D.
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.
2012 Synthesis of the Indolo[2,3-a]quinolizidine Ring through the Addition of 2-Siloxyfurans to Imines and Intrinsic Reaction Coordinate CalculationsMirabal-Gallardo, Y.; Soriano, M.D.P.C.; Caballero, J.; Alzate-Morales, J.; Simirgiotis, M.J.; Santos, L.S.
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