Search Results - "Angelina, Emilio L." :: K.UTB vyhledávací portál

Combining Charge Density Analysis with Machine Learning Tools To Investigate the Cruzain Inhibition Mechanism

by Luchi, Adriano M, Villafañe, Roxana N, Gómez Chávez, J. Leonardo, Bogado, M. Lucrecia, Angelina, Emilio L, Peruchena, Nelida M
Published in ACS omega (26.11.2019)

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Study of polyphenols from Caesalpinia paraguariensis as α-glucosidase inhibitors: kinetics and structure–activity relationship

by Sgariglia, Melina A., Garibotto, Francisco M., Soberón, José R., Angelina, Emilio L., Andujar, Sebastián A., Vattuone, Marta A.
Published in New journal of chemistry (13.06.2022)

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Strength and Nature of Hydrogen Bonding Interactions in Mono- and Di-Hydrated Formamide Complexes

by Angelina, Emilio L, Peruchena, Nélida M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.05.2011)

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Halogen bonding in biological context: a computational study of D2 dopamine receptor

by Luchi, Adriano M., Angelina, Emilio L., Andujar, Sebastián A., Enriz, Ricardo D., Peruchena, Nélida M.
Published in Journal of physical organic chemistry (01.11.2016)

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Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptor

by Parravicini, Oscar, Bogado, M. Lucrecia, Rojas, Sebastián, Angelina, Emilio L., Andujar, Sebastián A., Gutierrez, Lucas J., Cabedo, Nuria, Sanz, M. Jesús, López-Gresa, M. Pilar, Cortes, Diego, Enriz, Ricardo D.
Published in Journal of molecular modeling (01.09.2017)

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Bifunctional Hydrogen Bonds in Monohydrated Cycloether Complexes

by Vallejos, Margarita M, Angelina, Emilio L, Peruchena, Nélida M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.03.2010)

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Non-covalent interactions in receptor-ligand complexes. A study based on the electron charge density

by Angelina, Emilio L., Andujar, Sebastián A., Tosso, Rodrigo D., Enriz, Ricardo D., Peruchena, Nélida M.
Published in Journal of physical organic chemistry (01.02.2014)

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Is the decrease of the total electron energy density a covalence indicator in hydrogen and halogen bonds?

by Angelina, Emilio L., Duarte, Darío J. R., Peruchena, Nélida M.
Published in Journal of molecular modeling (01.05.2013)

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Physical meaning of the QTAIM topological parameters in hydrogen bonding

by Duarte, Darío J. R., Angelina, Emilio L., Peruchena, Nélida M.
Published in Journal of molecular modeling (01.11.2014)

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Study of polyphenols from as α-glucosidase inhibitors: kinetics and structure-activity relationship

by Sgariglia, Melina A, Garibotto, Francisco M, Soberón, José R, Angelina, Emilio L, Andujar, Sebastián A, Vattuone, Marta A
Published in New journal of chemistry (13.06.2022)

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On the strength of the halogen bonds: Mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses

by Duarte, Darío J.R., Angelina, Emilio L., Peruchena, Nélida M.
Published in Computational and theoretical chemistry (15.10.2012)

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Non-covalent interactions in receptor-ligand complexes. A study based on the electron charge density: NON-COVALENT INTERACTIONS IN RECEPTOR-LIGAND COMPLEXES

by Angelina, Emilio L., Andujar, Sebastián A., Tosso, Rodrigo D., Enriz, Ricardo D., Peruchena, Nélida M.
Published in Journal of physical organic chemistry (01.02.2014)

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