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Jans Alzate Morales
Jans Alzate Morales
Associate Professor, Centro de Bioinformática, Simulación y Modelado (CBSM), University of Talca
Verified email at utalca.cl - Homepage
Title
Cited by
Cited by
Year
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
1362010
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
592009
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
572014
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
512007
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
492012
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
442012
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
372016
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
342013
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
342010
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
322012
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
322011
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
302018
Computational studies of snake venom toxins
PG Ojeda, D Ramírez, J Alzate-Morales, J Caballero, Q Kaas, ...
Toxins 10 (1), 8, 2017
292017
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
262015
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
252019
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
252016
Investigation of the differences in activity between hydroxycycloalkyl N1 substituted pyrazole derivatives as inhibitors of B-Raf kinase by using docking, molecular dynamics …
J Caballero, JH Alzate-Morales, A Vergara-Jaque
Journal of chemical information and modeling 51 (11), 2920-2931, 2011
232011
Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM
J Alzate-Morales, J Caballero
Journal of chemical information and modeling 50 (1), 110-122, 2010
232010
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
222018
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
222013
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