Kellogg GE - Search Results

1

Exploring the binding mechanisms of diaminopimelic acid analogs to meso-diaminopimelate dehydrogenase by molecular modeling.

Wang H, Kellogg GE, Xu P, Zhang Y. Wang H, et al. Among authors: kellogg ge. J Mol Graph Model. 2018 Aug;83:100-111. doi: 10.1016/j.jmgm.2018.05.011. Epub 2018 Jun 2. J Mol Graph Model. 2018. PMID: 29885593 Free PMC article.

2

KEY, LOCK, and LOCKSMITH: complementary hydropathic map predictions of drug structure from a known receptor-receptor structure from known drugs.

Kellogg GE, Abraham DJ. Kellogg GE, et al. J Mol Graph. 1992 Dec;10(4):212-7, 226. doi: 10.1016/0263-7855(92)80070-t. J Mol Graph. 1992. PMID: 1476993

3

Getting it right: modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets.

Kellogg GE, Fornabaio M, Spyrakis F, Lodola A, Cozzini P, Mozzarelli A, Abraham DJ. Kellogg GE, et al. J Mol Graph Model. 2004 Jul;22(6):479-86. doi: 10.1016/j.jmgm.2004.03.008. J Mol Graph Model. 2004. PMID: 15182807

4

Tools for building a comprehensive modeling system for virtual screening under real biological conditions: The Computational Titration algorithm.

Kellogg GE, Fornabaio M, Chen DL, Abraham DJ, Spyrakis F, Cozzini P, Mozzarelli A. Kellogg GE, et al. J Mol Graph Model. 2006 May;24(6):434-9. doi: 10.1016/j.jmgm.2005.09.001. Epub 2005 Oct 19. J Mol Graph Model. 2006. PMID: 16236534

5

Comparative docking study of anibamine as the first natural product CCR5 antagonist in CCR5 homology models.

Li G, Haney KM, Kellogg GE, Zhang Y. Li G, et al. Among authors: kellogg ge. J Chem Inf Model. 2009 Jan;49(1):120-32. doi: 10.1021/ci800356a. J Chem Inf Model. 2009. PMID: 19166361 Free PMC article.

6

Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity.

Shah JR, Mosier PD, Roth BL, Kellogg GE, Westkaemper RB. Shah JR, et al. Among authors: kellogg ge. Bioorg Med Chem. 2009 Sep 15;17(18):6496-504. doi: 10.1016/j.bmc.2009.08.016. Epub 2009 Aug 13. Bioorg Med Chem. 2009. PMID: 19700330 Free PMC article.

7

Regio- and stereoselective syntheses of the natural product CCR5 antagonist anibamine and its three olefin isomers.

Zhang F, Zaidi S, Haney KM, Kellogg GE, Zhang Y. Zhang F, et al. Among authors: kellogg ge. J Org Chem. 2011 Oct 7;76(19):7945-52. doi: 10.1021/jo2013669. Epub 2011 Sep 13. J Org Chem. 2011. PMID: 21875065 Free PMC article.

8

Binding mode characterization of 6α- and 6β-N-heterocyclic substituted naltrexamine derivatives via docking in opioid receptor crystal structures and site-directed mutagenesis studies: application of the 'message-address' concept in development of mu opioid receptor selective antagonists.

Zaidi SA, Arnatt CK, He H, Selley DE, Mosier PD, Kellogg GE, Zhang Y. Zaidi SA, et al. Among authors: kellogg ge. Bioorg Med Chem. 2013 Nov 1;21(21):6405-13. doi: 10.1016/j.bmc.2013.08.042. Epub 2013 Sep 4. Bioorg Med Chem. 2013. PMID: 24055076 Free PMC article.

9

Predicting the molecular interactions of CRIP1a-cannabinoid 1 receptor with integrated molecular modeling approaches.

Ahmed MH, Kellogg GE, Selley DE, Safo MK, Zhang Y. Ahmed MH, et al. Among authors: kellogg ge. Bioorg Med Chem Lett. 2014 Feb 15;24(4):1158-65. doi: 10.1016/j.bmcl.2013.12.119. Epub 2014 Jan 8. Bioorg Med Chem Lett. 2014. PMID: 24461351 Free PMC article.

10

Design, syntheses, and pharmacological characterization of 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6α-(isoquinoline-3'-carboxamido)morphinan analogues as opioid receptor ligands.

Yuan Y, Zaidi SA, Stevens DL, Scoggins KL, Mosier PD, Kellogg GE, Dewey WL, Selley DE, Zhang Y. Yuan Y, et al. Among authors: kellogg ge. Bioorg Med Chem. 2015 Apr 15;23(8):1701-15. doi: 10.1016/j.bmc.2015.02.055. Epub 2015 Mar 6. Bioorg Med Chem. 2015. PMID: 25783191 Free PMC article.

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