Proyectos

2: Valdes-Albuernes JL, Díaz-Pico E, Alfaro S, Caballero J.
Modeling of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-2 considering the protein flexibility by using molecular dynamics and cross-docking.
Front Mol Biosci. 2024;11:1374364
doi: 10.3389/fmolb.2024.1374364

3: Muñoz JL, Reyes JA, Besoain F, Arenas-Salinas M.
Factor in Fur-like Proteins Using Machine Learning and Molecular Descriptors.
Curr Bioinf. 2024;19:398-407
doi: 10.2174/0115748936264122231016094702

4: Barrales-Martínez C, Illanes-Solis C, Durán R, Caballero J.
Exploring the electronic and steric effects on the dimerization of intramolecular Frustrated Lewis Pairs: A comparison between aminoboranes and aminoalanes.
Dalton Trans. 2024;53:7000-11
doi: 10.1039/D3DT04274J

5: Li C, Krishnan S, Zhang M, Hu D, Meng D, Riedelsberger J, Dougherty L, Xu K, Piñeros MA, Cheng L.
Alternative Splicing Underpins the ALMT9 Transporter Function for Vacuolar Malic Acid Accumulation in Apple.
Adv Sci. 2024;11(22):e2310159
doi: 10.1002/advs.202310159

6: Camargo-Ayala L, Bedoya M, Prent-Peñaloza L, Polo-Cuadrado E, Osorio E, Brito I, Delgado GE, González W, Gutierrez M.
Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes.
RSC Adv. 2024;14(8):5222-33
doi: 10.1039/d3ra08649f

7: Olguín-Orellana GJ, de la Rosa Abad JA, Camarada MB, Mejía-Rosales SJ, Alzate-Morales J, Mariscal MM.
On the mechanical response of graphene-capped copper nanoparticles.
Phys Chem Chem Phys. 2024;26(3):2260-8
doi: 10.1039/d3cp05273g

8: Angles R, Arenas-Salinas M, García R, Ingram B.
An optimized relational database for querying structural patterns in proteins.
Database. 2024;2024:baad093
doi: 10.1093/database/baad093

9: Fernández-Yáñez V, Suazo P, Hormazábal C, Ibaceta V, Arenas-Salinas M, Vidal RM, Silva-Ojeda F, Arellano C, Muñoz I, Del Canto F.
Distribution of papA and papG Variants among Escherichia coli Genotypes: Association with Major Extraintestinal Pathogenic Lineages.
Int J Mol Sci. 2024;25(12):6657
doi: 10.3390/ijms25126657

10: Méndez D, Tellería F, Monroy-Cárdenas M, Montecino-Garrido H, Mansilla S, Castro L, Trostchansky A, Muñoz-Córdova F, Zickermann V, Schiller J, Alfaro S, Caballero J, Araya-Maturana R, Fuentes E.
Linking triphenylphosphonium cation to a bicyclic hydroquinone improves their antiplatelet effect via the regulation of mitochondrial function.
Redox Biol. 2024;72:103142
doi: 10.1016/j.redox.2024.103142

11: Velázquez–Libera JL, Caballero J, Alzate-Morales J, Ruiz-Pernía JJ, Tuñón I.
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;64(10):4134–48.
doi: 10.1021/acs.jcim.3c01971