1) APLICACIÓN DE LA DINÁMICA MOLECULAR EN EL RECONOCIMIENTO BIOMOLECULAR
2) APLICACIÓN DE LAS RELACIONES CUANTITATIVAS ENTRE LA ESTRUCTURA Y LA ACTIVIDAD (QSAR) EN EL DISEÑO DE FÁRMACOS

Publicaciones

1) Boopathi, S., & Garduño-Juárez, R. (2024). A Small Molecule Impedes the Aβ1–42 Tetramer Neurotoxicity by Preserving Membrane Integrity: Microsecond Multiscale Simulations. ACS Chem. Neurosci. 15, 3496−3512. https://doi.org/10.1021/acschemneuro.4c00383 - FI 4.7
2) Garduño-Juárez, R., Tovar-Anaya, D. O., Perez-Aguilar, J. M., Lozano-Aguirre Beltran, L. F., Zubillaga, R. A., Alvarez-Perez, M. A., & Villarreal-Ramirez, E. (2024). Molecular dynamic simulations for biopolymers with biomedical applications. Polymers, 16(13), 1864. https://doi.org/10.3390/polym16131864 - FI 4.2
3) Montero-Domínguez, P. A., Mares-Sámano, S., & Garduño-Juárez, R. (2023). Insight on the interaction between the scorpion toxin blocker Discrepin on potassium voltage-gated channel Kv4. 3 by molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics, 41(13), 6272-6281. - FI 3.2
4) Boopathi, S., & Garduño‐Juárez, R. (2022). Calcium inhibits penetration of Alzheimer's Aβ1–42 monomers into the membrane. Proteins: Structure, Function, and Bioinformatics, 90(12), 2124-2143. FI 3.2
5) Campos‐Fernández, L., Ortiz‐Muñiz, R., Cortés‐Barberena, E., Mares‐Sámano, S., Garduño‐Juárez, R., & Soriano‐Correa, C. (2022). Imidazole and nitroimidazole derivatives as NADH‐fumarate reductase inhibitors: Density functional theory studies, homology modeling, and molecular docking. Journal of computational chemistry, 43(23), 1573-1595. - FI 3.4
6) Morales-Martínez, A., Bertrand, B., Hernández-Meza, J. M., Garduño-Juárez, R., Silva-Sanchez, J., & Munoz-Garay, C. (2022). Membrane fluidity, composition, and charge affect the activity and selectivity of the AMP ascaphin-8. Biophysical Journal, 121(16), 3034-3048. - FI 3.2
7) Morales-Martínez, A., Bertrand, B., Hernández-Meza, J. M., Garduño-Juárez, R., Silva-Sanchez, J., & Munoz-Garay, C. (2022). Effect of membrane lipid fluidity, composition, and charge on the ability of the antimicrobial peptide ascaphin-8 to insert into the membrane and form pores. Biophysical Journal, S0006-3495. - FI 3.2
8) Velasco-Bolom, J. L., & Garduño-Juárez, R. (2022). Computational studies of membrane pore formation induced by Pin2. Journal of Biomolecular Structure and Dynamics, 40(11), 5060-5068. - FI 3.2
9) JM Hernández-Meza, S Mares-Sámano, R Garduño-Juárez (2021). Insights into the Molecular Inhibition of the Oncogenic Channel KV10.1 by Globular Toxins. Journal of Chemical Information and Modeling (In Press). IF 4.549
10) B Bertrand, R Garduño-Juárez, C Munoz-Garay (2021). Estimation of pore dimensions in lipid membranes induced by peptides and other biomolecules: A review. Biochimica et Biophysica Acta (BBA)-Biomembranes, 183551. IF 3.411
11) JL Velasco-Bolom, R Garduño-Juárez (2021). Computational studies of membrane pore formation induced by Pin2. Journal of Biomolecular Structure and Dynamics (In Press). IF 3.549
12) B Bertrand, S Munusamy, JF Espinosa-Romero, G Corzo, IA Sosa, ... (2020). Biophysical characterization of the insertion of two potent antimicrobial peptides-Pin2 and its variant Pin2 [GVG] in biological model membranes. Biochimica et Biophysica Acta (BBA)-Biomembranes 1862 (2), 183105. IF 3.411
13) JL Velasco-Bolom, G Corzo, R Garduño-Juárez (2020). Folding profiles of antimicrobial scorpion venom-derived peptides on hydrophobic surfaces: a molecular dynamics study. Journal of Biomolecular Structure and Dynamics 38 (10), 2928-2938. IF 3.549
14) Velasco-Bolom, J. L., Corzo, G., & Garduño-Juárez, R. (2018). Molecular dynamics simulation of the membrane binding and disruption mechanisms by antimicrobial scorpion venom-derived peptides. Journal of Biomolecular Structure and Dynamics, 36(8), 2070-2084. IF 3.123
15) Robles, J. P., Zamora, M., Velasco-Bolom, J. L., Tovar, M., Garduño-Juárez, R., Bertsch, T., ... & Clapp, C. (2018). Vasoinhibin comprises a three-helix bundle and its antiangiogenic domain is located within the first 79 residues. Scientific reports, 8(1), 17111. IF 4.525

Circuito de Posgrado, Ciudad Universitaria
Alcaldía Coyoacán, C.P. 04510, México, CDMX

55 5623 7006
mdcbq@posgrado.unam.mx