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Unraveling the Binding, Proton Blockage, and Inhibition of Influenza M2 WT and S31N by Rimantadine Variants.
Drakopoulos A, Tzitzoglaki C, McGuire K, Hoffmann A, Konstantinidi A, Kolokouris D, Ma C, Freudenberger K, Hutterer J, Gauglitz G, Wang J, Schmidtke M, Busath DD, Kolocouris A. Drakopoulos A, et al. ACS Med Chem Lett. 2018 Jan 29;9(3):198-203. doi: 10.1021/acsmedchemlett.7b00458. eCollection 2018 Mar 8. ACS Med Chem Lett. 2018. PMID: 29541360 Free PMC article.
Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.
Ioannidis H, Drakopoulos A, Tzitzoglaki C, Homeyer N, Kolarov F, Gkeka P, Freudenberger K, Liolios C, Gauglitz G, Cournia Z, Gohlke H, Kolocouris A. Ioannidis H, et al. Among authors: drakopoulos a. J Chem Inf Model. 2016 May 23;56(5):862-76. doi: 10.1021/acs.jcim.6b00079. Epub 2016 May 9. J Chem Inf Model. 2016. PMID: 27105206
Affinity of Rimantadine Enantiomers against Influenza A/M2 Protein Revisited.
Drakopoulos A, Tzitzoglaki C, Ma C, Freudenberger K, Hoffmann A, Hu Y, Gauglitz G, Schmidtke M, Wang J, Kolocouris A. Drakopoulos A, et al. ACS Med Chem Lett. 2017 Jan 27;8(2):145-150. doi: 10.1021/acsmedchemlett.6b00311. eCollection 2017 Feb 9. ACS Med Chem Lett. 2017. PMID: 28217261 Free PMC article.
Aminobenzimidazoles and Structural Isomers as Templates for Dual-Acting Butyrylcholinesterase Inhibitors and hCB2 R Ligands To Combat Neurodegenerative Disorders.
Dolles D, Nimczick M, Scheiner M, Ramler J, Stadtmüller P, Sawatzky E, Drakopoulos A, Sotriffer C, Wittmann HJ, Strasser A, Decker M. Dolles D, et al. Among authors: drakopoulos a. ChemMedChem. 2016 Jun 20;11(12):1270-83. doi: 10.1002/cmdc.201500418. Epub 2015 Nov 9. ChemMedChem. 2016. PMID: 26548365
22 results