Sali A - Search Results

1

Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists.

Kolb P, Phan K, Gao ZG, Marko AC, Sali A, Jacobson KA. Kolb P, et al. Among authors: sali a. PLoS One. 2012;7(11):e49910. doi: 10.1371/journal.pone.0049910. Epub 2012 Nov 21. PLoS One. 2012. PMID: 23185482 Free PMC article.

2

Molecular docking screens using comparative models of proteins.

Fan H, Irwin JJ, Webb BM, Klebe G, Shoichet BK, Sali A. Fan H, et al. Among authors: sali a. J Chem Inf Model. 2009 Nov;49(11):2512-27. doi: 10.1021/ci9003706. J Chem Inf Model. 2009. PMID: 19845314 Free PMC article.

3

Ligand discovery from a dopamine D3 receptor homology model and crystal structure.

Carlsson J, Coleman RG, Setola V, Irwin JJ, Fan H, Schlessinger A, Sali A, Roth BL, Shoichet BK. Carlsson J, et al. Among authors: sali a. Nat Chem Biol. 2011 Sep 18;7(11):769-78. doi: 10.1038/nchembio.662. Nat Chem Biol. 2011. PMID: 21926995 Free PMC article.

4

Statistical potential for modeling and ranking of protein-ligand interactions.

Fan H, Schneidman-Duhovny D, Irwin JJ, Dong G, Shoichet BK, Sali A. Fan H, et al. Among authors: sali a. J Chem Inf Model. 2011 Dec 27;51(12):3078-92. doi: 10.1021/ci200377u. Epub 2011 Nov 21. J Chem Inf Model. 2011. PMID: 22014038 Free PMC article.

5

Virtual ligand screening against comparative protein structure models.

Fan H, Irwin JJ, Sali A. Fan H, et al. Among authors: sali a. Methods Mol Biol. 2012;819:105-26. doi: 10.1007/978-1-61779-465-0_8. Methods Mol Biol. 2012. PMID: 22183533 Free PMC article.

6

Prediction of substrates for glutathione transferases by covalent docking.

Dong GQ, Calhoun S, Fan H, Kalyanaraman C, Branch MC, Mashiyama ST, London N, Jacobson MP, Babbitt PC, Shoichet BK, Armstrong RN, Sali A. Dong GQ, et al. Among authors: sali a. J Chem Inf Model. 2014 Jun 23;54(6):1687-99. doi: 10.1021/ci5001554. Epub 2014 May 16. J Chem Inf Model. 2014. PMID: 24802635 Free PMC article.

7

Structural modeling of protein interactions by analogy: application to PSD-95.

Korkin D, Davis FP, Alber F, Luong T, Shen MY, Lucic V, Kennedy MB, Sali A. Korkin D, et al. Among authors: sali a. PLoS Comput Biol. 2006 Nov 10;2(11):e153. doi: 10.1371/journal.pcbi.0020153. Epub 2006 Oct 4. PLoS Comput Biol. 2006. PMID: 17096593 Free PMC article.

8

Comparative protein structure modeling using Modeller.

Eswar N, Webb B, Marti-Renom MA, Madhusudhan MS, Eramian D, Shen MY, Pieper U, Sali A. Eswar N, et al. Among authors: sali a. Curr Protoc Bioinformatics. 2006 Oct;Chapter 5:Unit-5.6. doi: 10.1002/0471250953.bi0506s15. Curr Protoc Bioinformatics. 2006. PMID: 18428767 Free PMC article.

9

Comparative protein structure modeling using MODELLER.

Eswar N, Webb B, Marti-Renom MA, Madhusudhan MS, Eramian D, Shen MY, Pieper U, Sali A. Eswar N, et al. Among authors: sali a. Curr Protoc Protein Sci. 2007 Nov;Chapter 2:Unit 2.9. doi: 10.1002/0471140864.ps0209s50. Curr Protoc Protein Sci. 2007. PMID: 18429317

10

Protein structure modeling with MODELLER.

Eswar N, Eramian D, Webb B, Shen MY, Sali A. Eswar N, et al. Among authors: sali a. Methods Mol Biol. 2008;426:145-59. doi: 10.1007/978-1-60327-058-8_8. Methods Mol Biol. 2008. PMID: 18542861

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