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A genetic algorithm optimized fuzzy neural network analysis of the affinity of inhibitors for HIV-1 protease.
Bioorg Med Chem. 2008 Mar 15;16(6):2903-11. doi: 10.1016/j.bmc.2007.12.055. Epub 2008 Jan 1.
Bioorg Med Chem. 2008.
PMID: 18194868
Molecular factors governing inhibition of arylimidamides against Leishmania: conservative computational modeling to improve chemotherapies.
Collar CJ, Zhu X, Werbovetz K, Boykin DW, Wilson WD.
Collar CJ, et al.
Bioorg Med Chem. 2011 Aug 1;19(15):4552-61. doi: 10.1016/j.bmc.2011.06.026. Epub 2011 Jun 16.
Bioorg Med Chem. 2011.
PMID: 21741248
Free PMC article.
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Predictive computational models of substrate binding by a nucleoside transporter.
Collar CJ, Al-Salabi MI, Stewart ML, Barrett MP, Wilson WD, de Koning HP.
Collar CJ, et al.
J Biol Chem. 2009 Dec 4;284(49):34028-35. doi: 10.1074/jbc.M109.049726. Epub 2009 Oct 5.
J Biol Chem. 2009.
PMID: 19808668
Free PMC article.
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Setting anchor in the minor groove: in silico investigation into formamido N-methylpyrrole and N-methylimidazole polyamides bound by cognate DNA sequences.
Collar CJ, Lee M, Wilson WD.
Collar CJ, et al.
J Chem Inf Model. 2010 Sep 27;50(9):1611-22. doi: 10.1021/ci100191a.
J Chem Inf Model. 2010.
PMID: 20804157
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Design of DNA minor groove binding diamidines that recognize GC base pair sequences: a dimeric-hinge interaction motif.
Munde M, Ismail MA, Arafa R, Peixoto P, Collar CJ, Liu Y, Hu L, David-Cordonnier MH, Lansiaux A, Bailly C, Boykin DW, Wilson WD.
Munde M, et al. Among authors: collar cj.
J Am Chem Soc. 2007 Nov 7;129(44):13732-43. doi: 10.1021/ja074560a. Epub 2007 Oct 13.
J Am Chem Soc. 2007.
PMID: 17935330
Free PMC article.
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Heterocyclic diamidine interactions at AT base pairs in the DNA minor groove: effects of heterocycle differences, DNA AT sequence and length.
Liu Y, Collar CJ, Kumar A, Stephens CE, Boykin DW, Wilson WD.
Liu Y, et al. Among authors: collar cj.
J Phys Chem B. 2008 Sep 18;112(37):11809-18. doi: 10.1021/jp804048c. Epub 2008 Aug 22.
J Phys Chem B. 2008.
PMID: 18717551
Free PMC article.
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