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Molecular dynamics and free energy studies of chirality specificity effects on aminobenzo[a]quinolizine inhibitors binding to DPP-IV.
J Mol Model. 2013 Mar;19(3):1167-77. doi: 10.1007/s00894-012-1653-3. Epub 2012 Nov 15.
J Mol Model. 2013.
PMID: 23151852
Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV.
Desheng L, Jian G, Yuanhua C, Wei C, Huai Z, Mingjuan J.
Desheng L, et al. Among authors: mingjuan j.
Bioorg Med Chem Lett. 2011 Nov 15;21(22):6630-5. doi: 10.1016/j.bmcl.2011.09.093. Epub 2011 Sep 29.
Bioorg Med Chem Lett. 2011.
PMID: 21996517
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