Hall SE - Search Results

1

The predicted 3D structures of the human M1 muscarinic acetylcholine receptor with agonist or antagonist bound.

Peng JY, Vaidehi N, Hall SE, Goddard WA 3rd. Peng JY, et al. Among authors: hall se. ChemMedChem. 2006 Aug;1(8):878-90. doi: 10.1002/cmdc.200600047. ChemMedChem. 2006. PMID: 16902941

2

Test of the Binding Threshold Hypothesis for olfactory receptors: explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912-93.

Hummel P, Vaidehi N, Floriano WB, Hall SE, Goddard WA 3rd. Hummel P, et al. Among authors: hall se. Protein Sci. 2005 Mar;14(3):703-10. doi: 10.1110/ps.041119705. Protein Sci. 2005. PMID: 15722446 Free PMC article.

3

Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment.

Hall SE, Floriano WB, Vaidehi N, Goddard WA 3rd. Hall SE, et al. Chem Senses. 2004 Sep;29(7):595-616. doi: 10.1093/chemse/bjh063. Chem Senses. 2004. PMID: 15337685

4

First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin.

Trabanino RJ, Hall SE, Vaidehi N, Floriano WB, Kam VW, Goddard WA 3rd. Trabanino RJ, et al. Among authors: hall se. Biophys J. 2004 Apr;86(4):1904-21. doi: 10.1016/S0006-3495(04)74256-3. Biophys J. 2004. PMID: 15041637 Free PMC article.

5

The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists.

Kalani MY, Vaidehi N, Hall SE, Trabanino RJ, Freddolino PL, Kalani MA, Floriano WB, Kam VW, Goddard WA 3rd. Kalani MY, et al. Among authors: hall se. Proc Natl Acad Sci U S A. 2004 Mar 16;101(11):3815-20. doi: 10.1073/pnas.0400100101. Epub 2004 Mar 3. Proc Natl Acad Sci U S A. 2004. PMID: 14999101 Free PMC article.

6

Prediction of structure and function of G protein-coupled receptors.

Vaidehi N, Floriano WB, Trabanino R, Hall SE, Freddolino P, Choi EJ, Zamanakos G, Goddard WA 3rd. Vaidehi N, et al. Among authors: hall se. Proc Natl Acad Sci U S A. 2002 Oct 1;99(20):12622-7. doi: 10.1073/pnas.122357199. Epub 2002 Sep 26. Proc Natl Acad Sci U S A. 2002. PMID: 12351677 Free PMC article.

7

Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists.

Freddolino PL, Kalani MY, Vaidehi N, Floriano WB, Hall SE, Trabanino RJ, Kam VW, Goddard WA 3rd. Freddolino PL, et al. Among authors: hall se. Proc Natl Acad Sci U S A. 2004 Mar 2;101(9):2736-41. doi: 10.1073/pnas.0308751101. Epub 2004 Feb 23. Proc Natl Acad Sci U S A. 2004. PMID: 14981238 Free PMC article.

8

Importance of receptor flexibility in binding of cyclam compounds to the chemokine receptor CXCR4.

Lam AR, Bhattacharya S, Patel K, Hall SE, Mao A, Vaidehi N. Lam AR, et al. Among authors: hall se. J Chem Inf Model. 2011 Jan 24;51(1):139-47. doi: 10.1021/ci1003027. Epub 2010 Dec 15. J Chem Inf Model. 2011. PMID: 21158459

9

Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5.

Hall SE, Mao A, Nicolaidou V, Finelli M, Wise EL, Nedjai B, Kanjanapangka J, Harirchian P, Chen D, Selchau V, Ribeiro S, Schyler S, Pease JE, Horuk R, Vaidehi N. Hall SE, et al. Mol Pharmacol. 2009 Jun;75(6):1325-36. doi: 10.1124/mol.108.053470. Epub 2009 Mar 18. Mol Pharmacol. 2009. PMID: 19297521

10

Modeling the human PTC bitter-taste receptor interactions with bitter tastants.

Floriano WB, Hall S, Vaidehi N, Kim U, Drayna D, Goddard WA 3rd. Floriano WB, et al. J Mol Model. 2006 Sep;12(6):931-41. doi: 10.1007/s00894-006-0102-6. Epub 2006 Apr 11. J Mol Model. 2006. PMID: 16607493

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