Jans H. Alzate-Morales - researchr alias

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Viewing Publication 1 - 9 from 9

2022

Pseudomonas aeruginosaDaniel Bustos, Erix Wiliam Hernández-Rodríguez, Horacio Poblete, Jans H. Alzate-Morales, Cecilia Challier, Cristhian Boetsch, Ariela Vergara-Jaque, Paola Beassoni. jcisd, 62(12):3067-3078, 2022. [doi]

2020

Coarse-Grained Parameters for Divalent Cations within the SIRAH Force FieldFlorencia Klein, Daniela Cáceres, Mónica A. Carrasco, Juan Carlos Tapia, Julio Caballero, Jans H. Alzate-Morales, Sergio Pantano. jcisd, 60(8):3935-3943, 2020. [doi]

Molecular Insights into the Trapping Effect of Ca2+ in Protein Kinase A: A Molecular Dynamics StudyJocelyn Solorza, Rodrigo Recabarren, Jans H. Alzate-Morales. jcisd, 60(2):898-914, 2020. [doi]

2018

c]quinazolines as cholinesterase inhibitors: Molecular docking and MM/GBSA studiesJaime Gálvez, Stivens Polo, Braulio Insuasty, Margarita Gutiérrez, Daniela Cáceres, Jans H. Alzate-Morales, Pedro De-la-Torre, Jairo Quiroga. CANDC, 74:218-229, 2018. [doi]

2011

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)aniline, and 4-(4-amino-2-fluorophenoxy)-2-pyridinylamine derivatives aJulio Caballero, Miguel Quiliano, Jans H. Alzate-Morales, Mirko Zimic, Eric Deharo. jcamd, 25(4):349-369, 2011. [doi]

De Novo Design: Study of Binding Mode of Diastereomer CompoundsJulio Caballero, Jans H. Alzate-Morales, Ariela Vergara Jague. jcisd, 51(11):2920-2931, 2011. [doi]

2010

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 Entrance of the Active SiteJans H. Alzate-Morales, Ariela Vergara Jague, Julio Caballero. jcisd, 50(6):1101-1112, 2010. [doi]

Computational Study of the Interactions between Guanine Derivatives and Cyclin-Dependent Kinase 2 (CDK2) by CoMFA and QM/MMJans H. Alzate-Morales, Julio Caballero. jcisd, 50(1):110-122, 2010. [doi]

2009

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 the inhibitors by Docking and ONIOM CalculationsJans H. Alzate-Morales, Julio Caballero, Ariela Vergara Jague, Fernando D. González Nilo. jcisd, 49(4):886-899, 2009. [doi]

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