PAU
ARROYO MAÑEZ
TITULAR DE UNIVERSIDAD


Universidad de Buenos Aires
Buenos Aires, ArgentinaPublications in collaboration with researchers from Universidad de Buenos Aires (14)
2023
-
Putting the Puzzle Together To Get the Whole Picture: Molecular Basis of the Affinity of Two Steroid Derivatives to Acetylcholinesterase
ACS Omega, Vol. 8, Núm. 28, pp. 25610-25622
2021
-
Beyond Pseudo-natural Products: Sequential Ugi/Pictet-Spengler Reactions Leading to Steroidal Pyrazinoisoquinolines That Trigger Caspase-Independent Death in HepG2 Cells
ChemMedChem, Vol. 16, Núm. 12, pp. 1945-1955
2017
-
Alkylation of 2- and 3-alkoxycarbonyl-4-quinolinones. DFT study on the regioselectivity
Journal of Molecular Structure, Vol. 1128, pp. 142-150
2015
-
Combined experimental and computational investigation of the absorption spectra of E- and Z-cinnamic acids in solution: The peculiarity of Z-cinnamics
Journal of Photochemistry and Photobiology B: Biology, Vol. 148, pp. 128-135
2014
-
Lipase-catalyzed synthesis of substituted phenylacetamides: Hammett analysis and computational study of the enzymatic aminolysis
European Journal of Organic Chemistry, Vol. 2014, Núm. 29, pp. 6439-6450
2013
-
Small ligand-globin interactions: Reviewing lessons derived from computer simulation
Biochimica et Biophysica Acta - Proteins and Proteomics, Vol. 1834, Núm. 9, pp. 1722-1738
2012
-
The Caenorhabditis elegans DAF-12 nuclear receptor: Structure, dynamics, and interaction with ligands
Proteins: Structure, Function and Bioinformatics, Vol. 80, Núm. 7, pp. 1798-1809
2011
-
Differentiation of isomeric hydroxypyridine N-Oxides using metal complexation and electrospray ionization mass spectrometry
Journal of the American Society for Mass Spectrometry, Vol. 22, Núm. 3, pp. 545-556
-
Protein dynamics and ligand migration interplay as studied by computer simulation
Biochimica et Biophysica Acta - Proteins and Proteomics, Vol. 1814, Núm. 8, pp. 1054-1064
-
Role of the distal hydrogen-bonding network in regulating oxygen affinity in the truncated hemoglobin III from campylobacter jejuni
Biochemistry, Vol. 50, Núm. 19, pp. 3946-3956
2010
-
An experimental and computational study on the dissociation behavior of hydroxypyridine N-oxides in atmospheric pressure ionization mass spectrometry
Journal of Mass Spectrometry, Vol. 45, Núm. 5, pp. 536-544
-
Heme pocket structural properties of a bacterial truncated hemoglobin from thermobifida fusca
Biochemistry, Vol. 49, Núm. 49, pp. 10394-10402
-
Structural determinants of the multifunctional profile of dual binding site acetylcholinesterase inhibitors as anti-alzheimer agents
Current Pharmaceutical Design, Vol. 16, Núm. 25, pp. 2818-2836
-
Unraveling the molecular basis for ligand binding in truncated hemoglobins: The trHbO Bacillus subtilis case
Proteins: Structure, Function and Bioinformatics, Vol. 78, Núm. 4, pp. 962-970