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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.
Chemistryopen|May 30, 2019
Experimental and Theoretical Approaches in the Study of Phenanthroline-Tetrahydroquinolines for Alzheimer's DiseaseYorley Duarte, Margarita Gutierrez, Rocío Álvarez, 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.
Plos One|April 15, 2016
Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational StudyCarlos Navarro-Retamal, Carlos Gaete-Eastman, Raúl Herrera, et al.
Journal of Molecular Graphics & Modelling|November 11, 2011
Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulationsCamila Muñoz, Francisco Adasme, Jans H Alzate-Morales, et al.
Biochemistry|May 30, 2018
Multiscale Simulations of Clavulanate Inhibition Identify the Reactive Complex in Class A β-Lactamases and Predict the Efficiency of InhibitionRubén A Fritz, Jans H Alzate-Morales, James Spencer, et al.
European Journal of Medicinal Chemistry|November 8, 2012
Synthesis, in silico, in vitro, and in vivo investigation of 5-[¹¹C]methoxy-substituted sunitinib, a tyrosine kinase inhibitor of VEGFR-2Julio Caballero, Camila Muñoz, Jans H Alzate-Morales, et al.
Molecules (Basel, Switzerland)|October 23, 2012
A novel class of selective acetylcholinesterase inhibitors: synthesis and evaluation of (E)-2-(benzo[d]thiazol-2-yl)-3-heteroarylacrylonitrilesPedro de la Torre, Luis Astudillo Saavedra, Julio Caballero, et al.
The Biochemical Journal|November 11, 2011
The pH sensor of the plant K+-uptake channel KAT1 is built from a sensory cloud rather than from single key amino acidsWendy González, Janin Riedelsberger, Samuel E Morales-Navarro, et al.
Computational Biology and Chemistry|April 15, 2018
Design, facile synthesis, and evaluation of novel spiro- and pyrazolo[1,5-c]quinazolines as cholinesterase inhibitors: Molecular docking and MM/GBSA studiesJaime Gálvez, Stivens Polo, Braulio Insuasty, et al.
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