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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: kolocouris 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
Binding and Proton Blockage by Amantadine Variants of the Influenza M2WT and M2S31N Explained.
Tzitzoglaki C, Wright A, Freudenberger K, Hoffmann A, Tietjen I, Stylianakis I, Kolarov F, Fedida D, Schmidtke M, Gauglitz G, Cross TA, Kolocouris A. Tzitzoglaki C, et al. Among authors: kolocouris a. J Med Chem. 2017 Mar 9;60(5):1716-1733. doi: 10.1021/acs.jmedchem.6b01115. Epub 2017 Feb 15. J Med Chem. 2017. PMID: 28107633 Free PMC article.
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. Among authors: kolocouris a. 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.
88 results