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De novo enzyme design using Rosetta3.
Richter F, Leaver-Fay A, Khare SD, Bjelic S, Baker D. Richter F, et al. Among authors: khare sd. PLoS One. 2011;6(5):e19230. doi: 10.1371/journal.pone.0019230. Epub 2011 May 16. PLoS One. 2011. PMID: 21603656 Free PMC article.
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: khare sd. 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.
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