Jans H. Alzate-Morales
Orcid: 0000-0001-9624-7849
According to our database1,
Jans H. Alzate-Morales
authored at least 11 papers
between 2009 and 2024.
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Bibliography
2024
Understanding the Interactions of Ubiquitin-Specific Protease 7 with Its Substrates through Molecular Dynamics Simulations: Insights into the Role of Its C-Terminal Domains in Substrate Recognition.
J. Chem. Inf. Model., 2024
Understanding the Differences of Danusertib's Residence Time in Aurora Kinases A/B: Dissociation Paths and Key Residues Identified using Conventional and Enhanced Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2024
2022
Structural Insights into the Inhibition Site in the Phosphorylcholine Phosphatase Enzyme of <i>Pseudomonas aeruginosa</i>.
J. Chem. Inf. Model., 2022
2020
Molecular Insights into the Trapping Effect of Ca2+ in Protein Kinase A: A Molecular Dynamics Study.
J. Chem. Inf. Model., 2020
J. Chem. Inf. Model., 2020
2018
Design, facile synthesis, and evaluation of novel spiro- and pyrazolo[1, 5-<i>c</i>]quinazolines as cholinesterase inhibitors: Molecular docking and MM/GBSA studies.
Comput. Biol. Chem., 2018
2011
Investigation of the Differences in Activity between Hydroxycycloalkyl N1 Substituted Pyrazole Derivatives As Inhibitors of B-Raf Kinase by Using Docking, Molecular Dynamics, QM/MM, and Fragment-Based <i>De Novo</i> Design: Study of Binding Mode of Diastereomer Compounds.
J. Chem. Inf. Model., 2011
Docking and quantitative structure-activity relationship studies for 3-fluoro-4-(pyrrolo[2, 1-<i>f</i>][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 as c-Met kinase inhibitors.
J. Comput. Aided Mol. Des., 2011
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 Site.
J. Chem. Inf. Model., 2010
Computational Study of the Interactions between Guanine Derivatives and Cyclin-Dependent Kinase 2 (CDK2) by CoMFA and QM/MM.
J. Chem. Inf. Model., 2010
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 Calculations.
J. Chem. Inf. Model., 2009