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Mapping of Ion and Substrate Binding Sites in Human Sodium Iodide Symporter (hNIS).
Zhekova HR, Sakuma T, Johnson R, Concilio SC, Lech PJ, Zdravkovic I, Damergi M, Suksanpaisan L, Peng KW, Russell SJ, Noskov S. Zhekova HR, et al. Among authors: damergi m. J Chem Inf Model. 2020 Mar 23;60(3):1652-1665. doi: 10.1021/acs.jcim.9b01114. Epub 2020 Mar 12. J Chem Inf Model. 2020. PMID: 32134653 Free PMC article.
Calibration of 1,2,4-Triazole-3-Thione, an Original Zn-Binding Group of Metallo-β-Lactamase Inhibitors. Validation of a Polarizable MM/MD Potential by Quantum Chemistry.
Kwapien K, Damergi M, Nader S, El Khoury L, Hobaika Z, Maroun RG, Piquemal JP, Gavara L, Berthomieu D, Hernandez JF, Gresh N. Kwapien K, et al. Among authors: damergi m. J Phys Chem B. 2017 Jul 6;121(26):6295-6312. doi: 10.1021/acs.jpcb.7b01053. Epub 2017 Jun 22. J Phys Chem B. 2017. PMID: 28574718