Hilvert D - Search Results

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: hilvert d. 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.

2

Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.

Xu J, Deng Q, Chen J, Houk KN, Bartek J, Hilvert D, Wilson IA. Xu J, et al. Among authors: hilvert d. Science. 1999 Dec 17;286(5448):2345-8. doi: 10.1126/science.286.5448.2345. Science. 1999. PMID: 10600746

3

Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8.

Hotta K, Lange H, Tantillo DJ, Houk KN, Hilvert D, Wilson IA. Hotta K, et al. Among authors: hilvert d. J Mol Biol. 2000 Oct 6;302(5):1213-25. doi: 10.1006/jmbi.2000.4503. J Mol Biol. 2000. PMID: 11183784

4

Shape complementarity, binding-site dynamics, and transition state stabilization: a theoretical study of Diels-Alder catalysis by antibody 1E9.

Chen J, Deng Q, Wang R, Houk K, Hilvert D. Chen J, et al. Among authors: hilvert d. Chembiochem. 2000 Nov 17;1(4):255-61. doi: 10.1002/1439-7633(20001117)1:4<255::AID-CBIC255>3.0.CO;2-S. Chembiochem. 2000. PMID: 11828417

5

Catalysis on the coastline: theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole.

Ujaque G, Tantillo DJ, Hu Y, Houk KN, Hotta K, Hilvert D. Ujaque G, et al. Among authors: hilvert d. J Comput Chem. 2003 Jan 15;24(1):98-110. doi: 10.1002/jcc.10151. J Comput Chem. 2003. PMID: 12483679

6

Nonspecific medium effects versus specific group positioning in the antibody and albumin catalysis of the base-promoted ring-opening reactions of benzisoxazoles.

Hu Y, Houk KN, Kikuchi K, Hotta K, Hilvert D. Hu Y, et al. Among authors: hilvert d. J Am Chem Soc. 2004 Jul 7;126(26):8197-205. doi: 10.1021/ja0490727. J Am Chem Soc. 2004. PMID: 15225061

7

De novo computational design of retro-aldol enzymes.

Jiang L, Althoff EA, Clemente FR, Doyle L, Röthlisberger D, Zanghellini A, Gallaher JL, Betker JL, Tanaka F, Barbas CF 3rd, Hilvert D, Houk KN, Stoddard BL, Baker D. Jiang L, et al. Among authors: hilvert d. Science. 2008 Mar 7;319(5868):1387-91. doi: 10.1126/science.1152692. Science. 2008. PMID: 18323453 Free PMC article.

8

Structural reorganization and preorganization in enzyme active sites: comparisons of experimental and theoretically ideal active site geometries in the multistep serine esterase reaction cycle.

Smith AJ, Müller R, Toscano MD, Kast P, Hellinga HW, Hilvert D, Houk KN. Smith AJ, et al. Among authors: hilvert d. J Am Chem Soc. 2008 Nov 19;130(46):15361-73. doi: 10.1021/ja803213p. Epub 2008 Oct 22. J Am Chem Soc. 2008. PMID: 18939839 Free PMC article.

9

Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.

Siegel JB, Zanghellini A, Lovick HM, Kiss G, Lambert AR, St Clair JL, Gallaher JL, Hilvert D, Gelb MH, Stoddard BL, Houk KN, Michael FE, Baker D. Siegel JB, et al. Among authors: hilvert d. Science. 2010 Jul 16;329(5989):309-13. doi: 10.1126/science.1190239. Science. 2010. PMID: 20647463 Free PMC article.

10

Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.

Wang L, Althoff EA, Bolduc J, Jiang L, Moody J, Lassila JK, Giger L, Hilvert D, Stoddard B, Baker D. Wang L, et al. Among authors: hilvert d. J Mol Biol. 2012 Jan 20;415(3):615-25. doi: 10.1016/j.jmb.2011.10.043. Epub 2011 Nov 3. J Mol Biol. 2012. PMID: 22075445 Free PMC article.

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