Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods [version 2; peer review: 2 approved]
Vivas-Reyes, Ricardo, Morales-Bayuelo, Alejando, Gueto, Carlos, Drosos, Juan C., Márquez Lázaro, Johana, Baldiris, Rosa, Ahumedo, Maicol, Vivas-Gomez, Catalina, Aparicio, Dilia
Published in F1000 research (01.01.2019)
Published in F1000 research (01.01.2019)
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Journal Article
Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods [version 1; peer review: 2 approved]
Vivas-Reyes, Ricardo, Morales-Bayuelo, Alejando, Gueto, Carlos, Drosos, Juan C., Márquez Lázaro, Johana, Baldiris, Rosa, Ahumedo, Maicol, Vivas-Gomez, Catalina, Aparicio, Dilia
Published in F1000 research (2019)
Published in F1000 research (2019)
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Journal Article
Three-dimensional quantitative structure–activity relationship studies on novel series of benzotriazine based compounds acting as Src inhibitors using CoMFA and CoMSIA
Gueto, Carlos, Ruiz, José L., Torres, Juan E., Méndez, Jefferson, Vivas-Reyes, Ricardo
Published in Bioorganic & medicinal chemistry (01.03.2008)
Published in Bioorganic & medicinal chemistry (01.03.2008)
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Journal Article
Multimodal Mass Spectrometry Identifies a Conserved Protective Epitope in S. pyogenes Streptolysin O
Tang, Di, Gueto-Tettay, Carlos, Hjortswang, Elisabeth, Ströbaek, Joel, Ekström, Simon, Happonen, Lotta, Malmström, Lars, Malmström, Johan
Published in Analytical chemistry (Washington) (04.06.2024)
Published in Analytical chemistry (Washington) (04.06.2024)
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Journal Article
Quantification of Adaptive Immune Responses Against Protein-Binding Interfaces in the Streptococcal M1 Protein
Torres-Sangiao, Eva, Happonen, Lotta, Heusel, Morizt, Palm, Frida, Gueto-Tettay, Carlos, Malmström, Lars, Shannon, Onna, Malmström, Johan
Published in Molecular & cellular proteomics (01.05.2024)
Published in Molecular & cellular proteomics (01.05.2024)
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Journal Article
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
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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Journal Article
Multi-Modal Mass Spectrometry Identifies a Conserved Protective Epitope in S. pyogenes Streptolysin O
Tang, Di, Gueto-Tettay, Carlos Alberto, Hjortswang, Elisabeth, Ströbaek, Joel, Ekström, Simon, Happonen, Lotta, Malmström, Lars, Malmström, Johan
Published in bioRxiv (02.12.2023)
Published in bioRxiv (02.12.2023)
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