Application of molecular docking and ONIOM methods for the description of interactions between anti-quorum sensing active (AHL) analogues and the Pseudomonas aeruginosa LasR binding site
Ahumedo, Maicol, Drosos, Juan Carlos, Vivas-Reyes, Ricardo
Published in Molecular bioSystems (01.01.2014)
Published in Molecular bioSystems (01.01.2014)
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Journal Article
Evaluación teórica de las propiedades electrónicas y estructurales que afectan a la conductividad eléctrica en copolímeros de furano-tiofeno
Anaya Gil, Jorge Luis, Drosos Ramirez, Juan Carlos, Vergara Lorduy, Javier Ernesto, Toro Rojas, Juan Pablo, Vivas Reyes, Ricardo
Published in Revista colombiana de química (01.05.2019)
Published in Revista colombiana de química (01.05.2019)
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Journal Article
Quantitative Structure–Retention Relationships of Polychlorinated Biphenyls (PCBs) Gas Chromatographic Retention Times: A Quantum Similarity Approach
Marrugo, Juan J., Drosos, Juan Carlos, Gueto-Tettay, Carlos, Anaya-Gil, Jorge, Rincón, Luis, Vivas-Reyes, Ricardo
Published in Chromatographia (01.07.2013)
Published in Chromatographia (01.07.2013)
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Population density analysis for determining the protonation state of the catalytic dyad in BACE1-tertiary carbinamine-based inhibitor complex
Gueto-Tettay, Carlos, Pelaez-Bedoya, Luis, Drosos-Ramirez, Juan Carlos
Published in Journal of biomolecular structure & dynamics (03.10.2018)
Published in Journal of biomolecular structure & dynamics (03.10.2018)
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Journal Article
G-score: A function to solve the puzzle of modeling the protonation states of β-secretase binding pocket
Gueto-Tettay, Carlos, Martinez-Consuegra, Alejandro, Pelaez-Bedoya, Luis, Drosos-Ramirez, Juan Carlos
Published in Journal of molecular graphics & modelling (01.10.2018)
Published in Journal of molecular graphics & modelling (01.10.2018)
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Journal Article
Determination of the protonation state for the catalytic dyad in β-secretase when bound to hydroxyethylamine transition state analogue inhibitors: A molecular dynamics simulation study
Gueto-Tettay, Carlos, Pestana-Nobles, Roberto, Drosos-Ramirez, Juan Carlos
Published in Journal of molecular graphics & modelling (01.05.2016)
Published in Journal of molecular graphics & modelling (01.05.2016)
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Journal Article
A molecular dynamics study of the BACE1 conformational change from Apo to closed form induced by hydroxyethylamine derived compounds
Gueto-Tettay, Carlos, Zuchniarz, Joshua, Fortich-Seca, Yeyson, Gueto-Tettay, Luis Roberto, Drosos-Ramirez, Juan Carlos
Published in Journal of molecular graphics & modelling (01.11.2016)
Published in Journal of molecular graphics & modelling (01.11.2016)
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Journal Article
A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process
Gueto-Tettay, Carlos, Martinez-Consuegra, Alejandro, Zuchniarz, Joshua, Gueto-Tettay, Luis Roberto, Drosos-Ramírez, Juan Carlos
Published in Journal of molecular graphics & modelling (01.09.2017)
Published in Journal of molecular graphics & modelling (01.09.2017)
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Journal Article
Application of molecular docking and ONIOM methods for the description of interactions between anti-quorum sensing active (AHL) analogues and the Pseudomonas aeruginosa LasRbinding site
Ahumedo, Maicol, Drosos, Juan Carlos, Vivas-Reyes, Ricardo
Published in Molecular bioSystems (01.04.2014)
Published in Molecular bioSystems (01.04.2014)
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Journal Article
Evaluación teórica de las propiedades electrónicas y estructurales que afectan a la conductividad eléctrica en copolímeros de furano-tiofeno/Theoretical evaluation of the electronic and structural properties that affect the electrical conductivity in furan-thiophene copolymers
Anaya Gil, Jorge Luis, Drosos Ramirez, Juan Carlos, Javier Ernesto Vergara Lorduy, Juan Pablo Toro Rojas, Ricardo Vivas Reyes
Published in Revista colombiana de química (01.05.2019)
Published in Revista colombiana de química (01.05.2019)
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Journal Article
Evaluación teórica de las propiedades electrónicas y estructurales que afectan a la conductividad eléctrica en copolímeros de furanotiofeno
Anaya Gil, Jorge Luis, Drosos Ramirez, Juan Carlos, Vergara Lorduy, Javier Ernesto, Toro Rojas, Juan Pablo, Vivas Reyes, Ricardo
Published in Revista colombiana de química (01.05.2019)
Published in Revista colombiana de química (01.05.2019)
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Journal Article