Halogen bonding in biological context: a computational study of D2 dopamine receptor von Luchi, Adriano M., Angelina, Emilio L., Andujar, Sebastián A., Enriz, Ricardo D., Peruchena, Nélida M.

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Alkaloids from Hippeastrum argentinum and Their Cholinesterase-Inhibitory Activities: An in Vitro and in Silico Study von Ortiz, Javier E, Pigni, Natalia B, Andujar, Sebastián A, Roitman, German, Suvire, Fernando D, Enriz, Ricardo D, Tapia, Alejandro, Bastida, Jaume, Feresin, Gabriela E

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Study of polyphenols from Caesalpinia paraguariensis as α-glucosidase inhibitors: kinetics and structure–activity relationship von Sgariglia, Melina A., Garibotto, Francisco M., Soberón, José R., Angelina, Emilio L., Andujar, Sebastián A., Vattuone, Marta A.

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Dopaminergic isoquinolines with hexahydrocyclopenta[ij]-isoquinolines as D2-like selective ligands von Párraga, Javier, Andujar, Sebastián A., Rojas, Sebastián, Gutierrez, Lucas J., El Aouad, Noureddine, Sanz, M. Jesús, Enriz, Ricardo D., Cabedo, Nuria, Cortes, Diego

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Non-covalent interactions in receptor-ligand complexes. A study based on the electron charge density von Angelina, Emilio L., Andujar, Sebastián A., Tosso, Rodrigo D., Enriz, Ricardo D., Peruchena, Nélida M.

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Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptor von 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.

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Arylated analogues of cypronazole: fungicidal effect and activity on human fibroblasts. Docking analysis and molecular dynamics simulations von Herrera Cano, Natividad, Andujar, Sebastian A., Theoduloz, Cristina, Wunderlin, Daniel A., Santiago, Ana N., Schmeda-Hirschmann, Guillermo, Enriz, Ricardo D., Feresin, Gabriela E.

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New mimetic peptides inhibitors of Αβ aggregation. Molecular guidance for rational drug design von Barrera Guisasola, Exequiel E., Andujar, Sebastián A., Hubin, Ellen, Broersen, Kerensa, Kraan, Ivonne M., Méndez, Luciana, Delpiccolo, Carina M.L., Masman, Marcelo F., Rodríguez, Ana M., Enriz, Ricardo D.

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Small Peptides Derived from Penetratin as Antibacterial Agents von Parravicini, Oscar, Somlai, Csaba, Andujar, Sebastián A., Garro, Adriana D., Lima, Beatriz, Tapia, Alejandro, Feresin, Gabriela, Perczel, Andras, Tóth, Gabor, Cascales, Javier López, Rodríguez, Ana M., Enriz, Ricardo D.

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A New Series of Antibacterial Nitrosopyrimidines: Synthesis and Structure-Activity Relationship von Olivella, Monica, Marchal, Antonio, Nogueras, Manuel, Melguizo, Manuel, Lima, Beatriz, Tapia, Alejandro, Feresin, Gabriela E., Parravicini, Oscar, Giannini, Fernando, Andujar, Sebastián A., Cobo, Justo, Enriz, Ricardo D.

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Amyloid-β fibril disruption by C60—molecular guidance for rational drug design von ANDUJAR, Sebastian A, LUGLI, Francesca, HÖFINGER, Siegfried, ENRIZ, Ricardo D, ZERBETTO, Francesco

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Indole-substituted 2,4-diamino-5,8-dihydropyrido[2,3-d]pyrimidines from one-pot process and evaluation of their ability to bind dopamine receptors von Enriz, Ricardo D., Tosso, Rodrigo D., Andújar, Sebastián A., Cabedo, Nuria, Cortés, Diego, Nogueras, Manuel, Cobo, Justo, Vargas, Didier F., Trilleras, Jorge

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Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dynamics Simulations, Quantum Mechanical Calculations, and Experimental Corroboration von Tosso, Rodrigo D, Andujar, Sebastian A, Gutierrez, Lucas, Angelina, Emilio, Rodríguez, Ricaurte, Nogueras, Manuel, Baldoni, Héctor, Suvire, Fernando D, Cobo, Justo, Enriz, Ricardo D

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Conformational transition of Aβ42 inhibited by a mimetic peptide. A molecular modeling study using QM/MM calculations and QTAIM analysis von Barrera Guisasola, Exequiel E., Gutiérrez, Lucas J., Salcedo, Rodrigo E., Garibotto, Francisco M., Andujar, Sebastián A., Enriz, Ricardo D., Rodríguez, Ana M.

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Study of polyphenols from as α-glucosidase inhibitors: kinetics and structure-activity relationship von Sgariglia, Melina A, Garibotto, Francisco M, Soberón, José R, Angelina, Emilio L, Andujar, Sebastián A, Vattuone, Marta A

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Searching the “Biologically Relevant”Conformation of Dopamine: A Computational Approach von Andujar, Sebastian A, Tosso, Rodrigo D, Suvire, Fernando D, Angelina, Emilio, Peruchena, Nelida, Cabedo, Nuria, Cortes, Diego, Enriz, Ricardo D

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Molecular design and synthesis of novel peptides from amphibians skin acting as inhibitors of cholinesterase enzymes von Siano, Alvaro, Garibotto, Francisco F., Andujar, Sebastian A., Baldoni, Hector A., Tonarelli, Georgina G., Enriz, Ricardo D.

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Quinoline analogs of 2-aminoindane as potential central dopaminergic agents von Angel, Jorge E., Enriz, Ricardo D., Balza, Katherindel C., Angel, Ligia B., Perdomo, Luís E., Rodríguez, Lucia Ch, Dabian, Akram S., del C. Migliore, Biagina, Ramírez, María M., Ortega, José G., Charris, Jaime E., Israel, Anita, del R. Garrido, María, López, Simon E., Rojas, Sebastian, Andujar, Sebastian A.

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Dopaminergic isoquinolines with hexahydrocyclopenta[ ij ]-isoquinolines as D 2 -like selective ligands von Párraga, Javier, Andujar, Sebastián A., Rojas, Sebastián, Gutierrez, Lucas J., El Aouad, Noureddine, Sanz, M. Jesús, Enriz, Ricardo D., Cabedo, Nuria, Cortes, Diego

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Antioxidant and cytotoxic activities of canadine: Biological effects and structural aspects von Correché, Estela R., Andujar, Sebastian A., Kurdelas, Rita R., Lechón, María J. Gómez, Freile, Mónica L., Enriz, Ricardo D.

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