A Computational Study of the Protein-Ligand Interactions in CDK2 Inhibitors: Using Quantum Mechanics/Molecular Mechanics Interaction Energy as a Predictor of the Biological Activit...

Por Alzate-Morales, Jans H., Contreras, Renato, Soriano, Alejandro, Tuñon, Iñaki, Silla, Estanislao
Publicado em 2007

Selective Interaction of Lansoprazole and Astemizole with Tau Polymers: Potential New Clinical Use in Diagnosis of Alzheimer's Disease

Por Rojo, Leonel E., Alzate-Morales, Jans, Saavedra, Iván N., Davies, Peter, Maccioni, Ricardo B.
Publicado em 2010

Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational Study

Por Navarro-Retamal, Carlos, Gaete-Eastman, Carlos, Herrera, Raúl, Caballero, Julio, Alzate-Morales, Jans H.
Publicado no PLoS One (2016)

Novel N‐allyl/propargyl tetrahydroquinolines: Synthesis via Three‐component Cationic Imino Diels–Alder Reaction, Binding Prediction, and Evaluation as Cholinesterase Inhibitors...

Por Rodríguez, Yeray A., Gutiérrez, Margarita, Ramírez, David, Alzate‐Morales, Jans, Bernal, Cristian C., Güiza, Fausto M., Romero Bohórquez, Arnold R.
Publicado no Chem Biol Drug Des (2016)

Similarities between the Binding Sites of SB-206553 at Serotonin Type 2 and Alpha7 Acetylcholine Nicotinic Receptors: Rationale for Its Polypharmacological Profile

Por Möller-Acuña, Patricia, Contreras-Riquelme, J. Sebastián, Rojas-Fuentes, Cecilia, Nuñez-Vivanco, Gabriel, Alzate-Morales, Jans, Iturriaga-Vásquez, Patricio, Arias, Hugo R., Reyes-Parada, Miguel
Publicado no PLoS One (2015)