| Selective interaction of lansoprazole and astemizole with tau polymers: potential new clinical use in diagnosis of Alzheimer's disease LE Rojo, J Alzate-Morales, IN Saavedra, P Davies, RB Maccioni Journal of Alzheimer's Disease 19 (2), 573-589, 2010 | 152 | 2010 |
| Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: the protein kinase case F Adasme-Carreño, C Muñoz-Gutierrez, J Caballero, JH Alzate-Morales Physical Chemistry Chemical Physics 16 (27), 14047-14058, 2014 | 67 | 2014 |
| Insights into the structural basis of N2 and O6 substituted guanine derivatives as cyclin-dependent kinase 2 (CDK2) inhibitors: prediction of the binding modes and potency of … JH Alzate-Morales, J Caballero, A Vergara Jague, FD Gonzalez Nilo Journal of chemical information and modeling 49 (4), 886-899, 2009 | 63 | 2009 |
| A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological … JH Alzate-Morales, R Contreras, A Soriano, I Tuñon, E Silla Biophysical journal 92 (2), 430-439, 2007 | 55 | 2007 |
| Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulations C Munoz, F Adasme, JH Alzate-Morales, A Vergara-Jaque, T Kniess, ... Journal of Molecular Graphics and Modelling 32, 39-48, 2012 | 52 | 2012 |
| A Novel Class of Selective Acetylcholinesterase Inhibitors: Synthesis and Evaluation of (E)-2-(Benzo[d]thiazol-2-yl)-3-heteroarylacrylonitriles P de la Torre, LA Saavedra, J Caballero, J Quiroga, JH Alzate-Morales, ... Molecules 17 (10), 12072-12085, 2012 | 48 | 2012 |
| Novel N‐allyl/propargyl tetrahydroquinolines: Synthesis via Three‐component Cationic Imino Diels–Alder Reaction, Binding Prediction, and Evaluation as … YA Rodríguez, M Gutiérrez, D Ramírez, J Alzate‐Morales, CC Bernal, ... Chemical biology & drug design 88 (4), 498-510, 2016 | 43 | 2016 |
| Design, facile synthesis, and evaluation of novel spiro-and pyrazolo [1, 5-c] quinazolines as cholinesterase inhibitors: Molecular docking and MM/GBSA studies J Gálvez, S Polo, B Insuasty, M Gutiérrez, D Cáceres, JH Alzate-Morales, ... Computational Biology and Chemistry 74, 218-229, 2018 | 37 | 2018 |
| Computational studies of snake venom toxins PG Ojeda, D Ramírez, J Alzate-Morales, J Caballero, Q Kaas, ... Toxins 10 (1), 8, 2017 | 37 | 2017 |
| Computational study on the interaction of N1 substituted pyrazole derivatives with B-Raf kinase: an unusual water wire hydrogen-bond network and novel interactions at the … JH Alzate-Morales, A Vergara-Jaque, J Caballero Journal of chemical information and modeling 50 (6), 1101-1112, 2010 | 36 | 2010 |
| Association of nicotinic acid with a poly (amidoamine) dendrimer studied by molecular dynamics simulations J Caballero, H Poblete, C Navarro, JH Alzate-Morales Journal of Molecular Graphics and Modelling 39, 71-78, 2013 | 34 | 2013 |
| Synthesis, in silico, in vitro, and in vivo investigation of 5-[11C] methoxy-substituted sunitinib, a tyrosine kinase inhibitor of VEGFR-2 J Caballero, C Muñoz, JH Alzate-Morales, S Cunha, L Gano, R Bergmann, ... European journal of medicinal chemistry 58, 272-280, 2012 | 32 | 2012 |
| Binding and catalytic mechanisms of veratryl alcohol oxidation by lignin peroxidase: A theoretical and experimental study JO Romero, E Fernández-Fueyo, F Avila-Salas, R Recabarren, ... Computational and Structural Biotechnology Journal 17, 1066-1074, 2019 | 31 | 2019 |
| Docking and quantitative structure–activity relationship studies for 3-fluoro-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yloxy)aniline, 3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy … J Caballero, M Quiliano, JH Alzate-Morales, M Zimic, E Deharo Journal of Computer-Aided Molecular Design 25, 349-369, 2011 | 31 | 2011 |
| Multiple binding sites in the nicotinic acetylcholine receptors: An opportunity for polypharmacolgy P Iturriaga-Vásquez, J Alzate-Morales, I Bermudez, R Varas, ... Pharmacological Research 101, 9-17, 2015 | 30 | 2015 |
| Novel coumarin‐quinoline hybrids: Design of multitarget compounds for Alzheimer's disease Y Duarte, A Fonseca, M Gutiérrez, F Adasme‐Carreño, ... ChemistrySelect 4 (2), 551-558, 2019 | 26 | 2019 |
| Molecular dynamics simulations and CD spectroscopy reveal hydration-induced unfolding of the intrinsically disordered LEA proteins COR15A and COR15B from Arabidopsis thaliana C Navarro-Retamal, A Bremer, J Alzate-Morales, J Caballero, DK Hincha, ... Physical Chemistry Chemical Physics 18 (37), 25806-25816, 2016 | 26 | 2016 |
| Neonicotinic analogues: Selective antagonists for α4β2 nicotinic acetylcholine receptors M Faundez-Parraguez, N Farias-Rabelo, JP Gonzalez-Gutierrez, ... Bioorganic & medicinal chemistry 21 (10), 2687-2694, 2013 | 26 | 2013 |
| Folding and lipid composition determine membrane interaction of the disordered protein COR15A C Navarro-Retamal, A Bremer, HI Ingólfsson, J Alzate-Morales, ... Biophysical journal 115 (6), 968-980, 2018 | 25 | 2018 |
| Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational Study C Navarro-Retamal, C Gaete-Eastman, R Herrera, J Caballero, ... PLoS One 11 (4), e0153057, 2016 | 25 | 2016 |
Julio CaballeroUniversidad de TalcaVerified email at utalca.cl
