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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: lii jh. 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
Conformational analysis of thioglycoside derivatives of histo-blood group ABH antigens using an ab initio-derived reparameterization of MM4: implications for design of non-hydrolysable mimetics.
Strino F, Lii JH, Gabius HJ, Nyholm PG. Strino F, et al. Among authors: lii jh. J Comput Aided Mol Des. 2009 Dec;23(12):845-52. doi: 10.1007/s10822-009-9301-4. Epub 2009 Sep 15. J Comput Aided Mol Des. 2009. PMID: 19757090
The external-anomeric torsional effect.
Lii JH, Chen KH, Johnson GP, French AD, Allinger NL. Lii JH, et al. Carbohydr Res. 2005 Apr 11;340(5):853-62. doi: 10.1016/j.carres.2005.01.032. Carbohydr Res. 2005. PMID: 15780251
Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2.
Lii JH, Allinger NL, Hu CH, Schaefer HF 3rd. Lii JH, et al. J Comput Chem. 2016 Jan 5;37(1):124-9. doi: 10.1002/jcc.24193. Epub 2015 Oct 29. J Comput Chem. 2016. PMID: 26511440
Alcohols, ethers, carbohydrates, and related compounds. IV. Carbohydrates.
Lii JH, Chen KH, Allinger NL. Lii JH, et al. J Comput Chem. 2003 Sep;24(12):1504-13. doi: 10.1002/jcc.10271. J Comput Chem. 2003. PMID: 12868113
Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect.
Lii JH, Chen KH, Durkin KA, Allinger NL. Lii JH, et al. J Comput Chem. 2003 Sep;24(12):1473-89. doi: 10.1002/jcc.10269. J Comput Chem. 2003. PMID: 12868111
Molecular mechanics (MM3) calculations on lithium amide compounds.
Yoshida T, Sakakibara K, Asami M, Chen KH, Lii JH, Allinger NL. Yoshida T, et al. J Comput Chem. 2003 Feb;24(3):319-27. doi: 10.1002/jcc.10161. J Comput Chem. 2003. PMID: 12548723
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