INVESTIGADORES
ANGELINA Emilio Luis
artículos
CAMPOS, LUDMILA E.; GARIBOTTO, FRANCISCO M.; ANGELINA, EMILIO; KOS, JIRI; TOMASIC, TIHOMIR; ZIDAR, NACE; KIKELJ, DANIJEL; GONEC, TOMAS; MARVANOVA, PAVLINA; MOKRY, PETR; JAMPILEK, JOSEF; ALVAREZ, SERGIO E.; ENRIZ, RICARDO D.
Searching new structural scaffolds for BRAF inhibitors. An integrative study using theoretical and experimental techniques
BIOORGANIC CHEMISTRY; Lugar: Amsterdam; Año: 2019 vol. 91
LUCHI, ADRIANO M.; VILLAFAÑE, ROXANA N.; GÓMEZ CHÁVEZ, J. LEONARDO; BOGADO, M. LUCRECIA; ANGELINA, EMILIO L.; PERUCHENA, NELIDA M.
Combining Charge Density Analysis with Machine Learning Tools to Investigate the Cruzain Inhibition Mechanism
ACS Omega; Año: 2019 vol. 4 p. 19582 - 19594
LUCHI, ADRIANO; ANGELINA, EMILIO; BOGADO, LUCRECIA; FORLI, STEFANO; OLSON, ARTHUR; PERUCHENA, NÉLIDA
Flap-site Fragment Restores Back Wild-type Behaviour in Resistant form of HIV Protease
Molecular Informatics; Lugar: Weinheim; Año: 2018 vol. 37
TOSSO, RODRIGO D.; VETTORAZZI, MARCELA; ANDUJAR, SEBASTIAN A.; GUTIERREZ, LUCAS J.; GARRO, JUAN C.; SUVIRE, FERNANDO D.; ENRIZ, RICARDO D.; TOSSO, RODRIGO D.; VETTORAZZI, MARCELA; ANDUJAR, SEBASTIAN A.; GUTIERREZ, LUCAS J.; GARRO, JUAN C.; SUVIRE, FERNANDO D.; ENRIZ, RICARDO D.; ANGELINA, EMILIO; RODRÍGUEZ, RICAURTE; RODRÍGUEZ, RICAURTE; NOGUERAS, MANUEL; COBO, JUSTO
The electronic density obtained from a QTAIM analysis used as molecular descriptor. A study performed in a new series of DHFR inhibitors
JOURNAL OF MOLECULAR STRUCTURE; Año: 2017 vol. 1134 p. 464 - 474
VETTORAZZI, MARCELA; ANGELINA, EMILIO; LIMA, SANTIAGO; GONEC, TOMAS; OTEVREL, JAN; MARVANOVA, PAVLINA; PADRTOVA, TEREZA; MOKRY, PETR; BOBAL, PAVEL; ACOSTA, LINA M.; PALMA, ALIRIO; COBO, JUSTO; BOBALOVA, JANETTE; CSOLLEI, JOZEF; MALIK, IVAN; ALVAREZ, SERGIO; SPIEGEL, SARAH; JAMPILEK, JOSEF; ENRIZ, RICARDO D.
An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors
EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2017 vol. 139 p. 461 - 481
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.
Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptor
JOURNAL OF MOLECULAR MODELING - (Print); Año: 2017 vol. 23
LUCHI, ADRIANO MARTIN; ANGELINA, EMILIO LUIS; ANDUJAR, SEBASTIAN ANTONIO; ENRIZ, RICARDO DANIEL; PERUCHENA, NÉLIDA MARIA
Halogen Bonding in Biological Context: A Computational Study of D2 Dopamine Receptor
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Lugar: LOndres; Año: 2016 vol. 29 p. 645 - 655
BARREA GUISASOLA, EXEQUIEL E ; GUTIERREZ, LUCAS J. ; ANDUJAR, SEBASTIAN A.; ANGELINA EMILIO L.; RODRIGUEZ, ANA MARÍA ; ENRIZ, RICARDO DANIEL
Pentameric models as alternative molecular targets for the design of new antiaggregant agents
CURRENT PROTEIN AND PEPTIDE SCIENCE; Lugar: Oak Park; Año: 2015
GUTIERREZ, LUCAS J.; ANGELINA, EMILIO L.; GYEBROVSZKI, ANDREA ; FÜLÖP, LÍVIA ; PERUCHENA, NELIDA M; BALDONI, HECTOR A. ; PENKE, BOTOND ; ENRIZ, RICARDO DANIEL
New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS; Lugar: New York ; Año: 2015
DUARTE, DARIO J.R.; ANGELINA EMILIO L.; PERUCHENA, NÉLIDA M.
Physical meaning of the QTAIM topological parameters in hydrogen bonding
JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2014 vol. 20
ANGELINA EMILIO L.; ANDUJAR, SEBASTIAN A.; TOSSO, RODRIGO D.; ENRIZ, RICARDO DANIEL; PERUCHENA, NÉLIDA M.
Non-covalent interactions in receptor-ligand complexes. A study based on the electron charge density
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Lugar: Londres; Año: 2014 vol. 27 p. 128 - 134
ANGELINA, EMILIO; ANDUJAR, SEBASTIAN; MORENO, LAURA ; GARIBOTO, FRANCISCO; PERUCHENA, NÉLIDA; VILLECCO, MARGARITA; CORTES, DIEGO; ENRIZ, RICARDO DANIEL
3-Chlorotyramine Acting as Ligand of the D2 Dopamine Receptor. Molecular Modeling, Synthesis and D2 Receptor Affinity
Molecular Informatics; Lugar: Weinheim; Año: 2014 vol. 34 p. 28 - 43
ANGELINA, EMILIO L.; DUARTE, DARIO J.R.; PERUCHENA, NELIDA M.
Is the decrease of the total electron energy density a covalence indicator in hydrogen and halogen bonds?
JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2013 vol. 19 p. 2097 - 2106
JAVIER PÁRRAGA; NURIA CABEDO; SEBASTIÁN ANDUJAR; LAURA PIQUERAS; LAURA MORENO; ABRAHAM GALÁN; EMILIO ANGELINA; RICARDO D. ENRIZ; MARÍA DOLORES IVORRA; MARÍA JESÚS SANZ; DIEGO CORTES
2,3,9- and 2,3,11-Trisubstituted tetrahydroprotoberberines as D2 dopaminergic ligands
EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2013 vol. 68 p. 150 - 166
TOSSO, RODRIGO D.; ANDUJAR, SEBASTIAN A.; GUTIERREZ, LUCAS; ANGELINA EMILIO L.; NOGUERAS, MANUEL ; BALDONI, HECTOR; RODRIGUEZ, RICAURTE; SUVIRE, FERNANDO D.; COBOS, JUSTO; ENRIZ, RICARDO DANIEL
Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dynamics Simulations, Quantum Mechanical Calculations, and Experimental Corroboration
JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2013 vol. 53 p. 2018 - 2032
DUARTE, DARIO JR; ANGELINA EMILIO L; PERUCHENA, NÉLIDA M
On the strength of the halogen bonds: Mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses
Computational and Theoretical Chemistry; Año: 2012 vol. 998 p. 164 - 172
ANDUJAR, SEBASTIAN A.; TOSSO, RODRIGO D.; SUVIRE, FERNANDO D.; ANGELINA EMILIO L.; PERUCHENA, NÉLIDA M.; CABEDO, NURIA; CORTES, DIEGO ; ENRIZ, RICARDO DANIEL
Searching the "Biologically Relevant" Conformation of Dopamine: A Computational Approach
JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2011 vol. 52 p. 99 - 112
ANGELINA, EMILIO LUIS; PERUCHENA, NÉLIDA MARIA
Strength and Nature of Hydrogen Bonding Interactions in Mono- and Di-Hydrated Formamide Complexes.
JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2011 vol. 115 p. 4701 - 4710
VALLEJOS, MARGARITA M.; ANGELINA, EMILIO L.; PERUCHENA, NÉLIDA M.
Bifunctional Hydrogen Bonds in Monohydrated Cycloether Complexes
JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2010 vol. 114 p. 2855 - 2863
EMILIO ANGELINA; MARGARITA VALLEJOS; NÉLIDA PERUCHENA
ENLACES DE HIDROGENO BIFUNCIONALES >O···H(H)O···H-C EN EL COMPLEJO TETRAHIDROFURANO-AGUA, UN ESTUDIO TEORICO
FACENA; Lugar: Corrientes ; Año: 2007 vol. 22 p. 7 - 32
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