| Quantitative structure–retention relationships of polycyclic aromatic hydrocarbons gas-chromatographic retention indices JC Drosos, M Viola-Rhenals, R Vivas-Reyes Journal of Chromatography A 1217 (26), 4411-4421, 2010 | 41 | 2010 |
| Application of molecular docking and ONIOM methods for the description of interactions between anti-quorum sensing active (AHL) analogues and the Pseudomonas aeruginosa LasR … M Ahumedo, JC Drosos, R Vivas-Reyes Molecular bioSystems 10 (5), 1162-1171, 2014 | 34 | 2014 |
| Método acoplado Autodock-PM6 para seleccionar la mejor pose en estudios de acoplamiento molecular M Velásquez, J Drosos, C Gueto, J Márquez, R Vivas-Reyes Revista colombiana de quimica 42 (1), 101-124, 2013 | 20 | 2013 |
| Quantum mechanics study of the hydroxyethylamines–BACE-1 active site interaction energies C Gueto-Tettay, JC Drosos, R Vivas-Reyes Journal of computer-aided molecular design 25, 583-597, 2011 | 19 | 2011 |
| A molecular dynamics study of the BACE1 conformational change from Apo to closed form induced by hydroxyethylamine derived compounds C Gueto-Tettay, J Zuchniarz, Y Fortich-Seca, LR Gueto-Tettay, ... Journal of Molecular Graphics and Modelling 70, 181-195, 2016 | 12 | 2016 |
| Autodock-PM6 method to choose the better pose in molecular docking studies M Velásquez, J Drosos, C Gueto, J Márquez, R Vivas-Reyes Revista Colombiana de Química 42 (1), 101-124, 2013 | 8 | 2013 |
| Determination of the protonation state for the catalytic dyad in β-secretase when bound to hydroxyethylamine transition state analogue inhibitors: a molecular dynamics … C Gueto-Tettay, R Pestana-Nobles, JC Drosos-Ramirez Journal of Molecular Graphics and Modelling 66, 155-167, 2016 | 7 | 2016 |
| A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process C Gueto-Tettay, A Martinez-Consuegra, J Zuchniarz, LR Gueto-Tettay, ... Journal of Molecular Graphics and Modelling 76, 274-288, 2017 | 6 | 2017 |
| Quantitative structure–retention relationships of polychlorinated biphenyls (PCBs) gas chromatographic retention times: a quantum similarity approach JJ Marrugo, JC Drosos, C Gueto-Tettay, J Anaya-Gil, L Rincón, ... Chromatographia 76, 837-847, 2013 | 5 | 2013 |
| Population density analysis for determining the protonation state of the catalytic dyad in BACE1-tertiary carbinamine-based inhibitor complex C Gueto-Tettay, L Pelaez-Bedoya, JC Drosos-Ramirez Journal of Biomolecular Structure and Dynamics 36 (13), 3557-3574, 2018 | 2 | 2018 |
| Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods R Vivas-Reyes, A Morales-Bayuelo, C Gueto, JC Drosos, JM Lázaro, ... F1000Research 8, 2019 | 1 | 2019 |
| G-score: A function to solve the puzzle of modeling the protonation states of β-secretase binding pocket C Gueto-Tettay, A Martinez-Consuegra, L Pelaez-Bedoya, ... Journal of Molecular Graphics and Modelling 85, 1-12, 2018 | 1 | 2018 |
| Evaluación teórica de las propiedades electrónicas y estructurales que afectan a la conductividad eléctrica en copolímeros de furano-tiofeno JL Anaya Gil, JC Drosos Ramirez, JE Vergara Lorduy, JP Toro Rojas, ... Revista Colombiana de Química 48 (2), 40-45, 2019 | | 2019 |
| Theoretical evaluation of the electronic and structural properties that affect the electrical conductivity in furan-thiophene copolymers JL Anaya Gil, JC Drosos Ramirez, JE Vergara Lorduy, JP Toro Rojas, ... Revista Colombiana de Química 48 (2), 40-45, 2019 | | 2019 |
| peer review: 2 approved R Vivas-Reyes, A Morales-Bayuelo, C Gueto, JC Drosos, JM Lázaro, ... | | |
| mechanics/molecular mechanics methods [version 1; peer R Vivas-Reyes, A Morales-Bayuelo, C Gueto, JC Drosos, JM Lázaro, ... | | |
