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Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivity.
Strino F, Lii JH, Koppisetty CA, Nyholm PG, Gabius HJ. Strino F, et al. Among authors: Koppisetty CA. J Comput Aided Mol Des. 2010 Dec;24(12):1009-21. doi: 10.1007/s10822-010-9392-y. Epub 2010 Oct 26. J Comput Aided Mol Des. 2010. PMID: 20976527