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Page 1
Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
Richter F, Blomberg R, Khare SD, Kiss G, Kuzin AP, Smith AJ, Gallaher J, Pianowski Z, Helgeson RC, Grjasnow A, Xiao R, Seetharaman J, Su M, Vorobiev S, Lew S, Forouhar F, Kornhaber GJ, Hunt JF, Montelione GT, Tong L, Houk KN, Hilvert D, Baker D. Richter F, et al. Among authors: seetharaman j. J Am Chem Soc. 2012 Oct 3;134(39):16197-206. doi: 10.1021/ja3037367. Epub 2012 Sep 21. J Am Chem Soc. 2012. PMID: 22871159 Free PMC article.
Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Bjelic S, Nivón LG, Çelebi-Ölçüm N, Kiss G, Rosewall CF, Lovick HM, Ingalls EL, Gallaher JL, Seetharaman J, Lew S, Montelione GT, Hunt JF, Michael FE, Houk KN, Baker D. Bjelic S, et al. Among authors: seetharaman j. ACS Chem Biol. 2013 Apr 19;8(4):749-57. doi: 10.1021/cb3006227. Epub 2013 Jan 30. ACS Chem Biol. 2013. PMID: 23330600 Free PMC article.
Computational design of a protein-based enzyme inhibitor.
Procko E, Hedman R, Hamilton K, Seetharaman J, Fleishman SJ, Su M, Aramini J, Kornhaber G, Hunt JF, Tong L, Montelione GT, Baker D. Procko E, et al. Among authors: seetharaman j. J Mol Biol. 2013 Sep 23;425(18):3563-75. doi: 10.1016/j.jmb.2013.06.035. Epub 2013 Jul 1. J Mol Biol. 2013. PMID: 23827138 Free PMC article.
Design of activated serine-containing catalytic triads with atomic-level accuracy.
Rajagopalan S, Wang C, Yu K, Kuzin AP, Richter F, Lew S, Miklos AE, Matthews ML, Seetharaman J, Su M, Hunt JF, Cravatt BF, Baker D. Rajagopalan S, et al. Among authors: seetharaman j. Nat Chem Biol. 2014 May;10(5):386-91. doi: 10.1038/nchembio.1498. Epub 2014 Apr 6. Nat Chem Biol. 2014. PMID: 24705591 Free PMC article.
A general computational approach for repeat protein design.
Parmeggiani F, Huang PS, Vorobiev S, Xiao R, Park K, Caprari S, Su M, Seetharaman J, Mao L, Janjua H, Montelione GT, Hunt J, Baker D. Parmeggiani F, et al. Among authors: seetharaman j. J Mol Biol. 2015 Jan 30;427(2):563-75. doi: 10.1016/j.jmb.2014.11.005. Epub 2014 Nov 14. J Mol Biol. 2015. PMID: 25451037 Free PMC article.
Structures of bacterial biosynthetic arginine decarboxylases.
Forouhar F, Lew S, Seetharaman J, Xiao R, Acton TB, Montelione GT, Tong L. Forouhar F, et al. Among authors: seetharaman j. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2010 Dec 1;66(Pt 12):1562-6. doi: 10.1107/S1744309110040649. Epub 2010 Nov 16. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2010. PMID: 21139196 Free PMC article.
89 results