Browsing by Author "Alzate Morales, Jans"
Now showing items 1-6 of 6
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(Biophysical Society, 2007)We report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the protein-ligand interaction energy between CDK2 (cyclin-dependent kinase 2) and five inhibitors with the N2-substituted 6-cyclohexy ...
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(Universidad de Chile, 2006)En esta tesis se presentan varias aproximaciones computacionales aplicadas al estudio de las interacciones proteína-ligando en el sistema enzimático CDK2/Ciclina A (Cyclin Dependent Kinase 2/Cyclin A). Los métodos ...
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(Elsevier, 2013)Nicotine is an agonist of nicotinic acetylcholine receptors (nAChRs)that has been extensively used as a template for the synthesis of a4b2-prefer ring nAChRs.Here,we used the N-methyl-pyrrolidine moiety of nicotine to ...
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(IOS Press, 2010)We describe the interactions of two benzimidazole derivatives, astemizole (AST) and lansoprazole (LNS), with anomalous aggregates of tau protein (neurofibrillary tangles). Interestingly, these compounds, with important ...
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(Royal Society of Chemistry, 2019)Phosphofructokinases (Pfks) catalyze the ATP-dependent phosphorylation of fructose-6-phosphate (F6P) and they are regulated in a wide variety of organisms. Although numerous aspects of the kinetics and regulation have been ...
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(2007)We report a theoretical study on a series of CDK2 inhibitors using a set of global reactivity indices defined in terms of the density of states. The statistical analysis was performed on the basis of two groups of 11 and ...
