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Title: Diseño in silico de nuevos análogos de enalapril (inhibidores de la ECA) utilizando QSAR y modelos de acoplamiento molecular / In-silico design of new Enalapril analogs (ACE inhibitors) using QSAR and molecular docking modelsAuthor: Gonzalez Amaya, Jhon Alex / Zambrano Cabrera, Daniella / Mojica Matallana, Alejandra / González Arevalo, Karen / Guevara Pulido, JamesLanguage: InglésRepository: 75
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Title: Insights into the structure of urea-like compounds as inhibitors of the juvenile hormone epoxide hydrolase (JHEH) of the tobacco hornworm Manduca sexta: Analysis of the binding modes and structure-activity relationships of the inhibitors by docking and CoMFA calculationsAuthor: Garriga, M. / Caballero, J.Language: InglésRepository: 27
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Title: Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulationsAuthor: Munoz, C. / Adasme, F. / Alzate-Morales, J.H. / Vergara-Jaque, A. / Kniess, T. / Caballero, J.Language: InglésRepository: 27
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Title: Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screeningAuthor: Dietrich, Roque Carlos / Alberca, Lucas Nicolás / Ruiz, María Daniela / Palestro, Pablo Hernán / Carrillo, Carolina / Talevi, Alan / Gavernet, LucianaLanguage: InglésRepository: 37Subject: Química / Chagas disease / Cisapride / Docking / Drug repositioning / QSAR / TcPAT12 / TcPOT1.1.
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Title: Plant catalases as NO and H2S targetsAuthor: Palma, José M. / Mateos Bernal, Rosa María / López-Jaramillo, Javier / Rodríguez-Ruiz, Marta / González-Gordo, Salvador / Lechuga-Sancho, Alfonso / Corpas, Francisco J.Language: InglésRepository: 30Subject: Docking / Nitration / S-nitrosation / Persulfidation / Post-translational modifications / Signaling
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