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Prediction of enzymatic pathways by integrative pathway mapping.
Calhoun S, Korczynska M, Wichelecki DJ, San Francisco B, Zhao S, Rodionov DA, Vetting MW, Al-Obaidi NF, Lin H, O'Meara MJ, Scott DA, Morris JH, Russel D, Almo SC, Osterman AL, Gerlt JA, Jacobson MP, Shoichet BK, Sali A. Calhoun S, et al. Among authors: shoichet bk. Elife. 2018 Jan 29;7:e31097. doi: 10.7554/eLife.31097. Elife. 2018. PMID: 29377793 Free PMC article.
Structure-based activity prediction for an enzyme of unknown function.
Hermann JC, Marti-Arbona R, Fedorov AA, Fedorov E, Almo SC, Shoichet BK, Raushel FM. Hermann JC, et al. Among authors: shoichet bk. Nature. 2007 Aug 16;448(7155):775-9. doi: 10.1038/nature05981. Epub 2007 Jul 1. Nature. 2007. PMID: 17603473 Free PMC article.
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: shoichet bk. J Chem Inf Model. 2009 Nov;49(11):2512-27. doi: 10.1021/ci9003706. J Chem Inf Model. 2009. PMID: 19845314 Free PMC article.
Enzymatic deamination of the epigenetic base N-6-methyladenine.
Kamat SS, Fan H, Sauder JM, Burley SK, Shoichet BK, Sali A, Raushel FM. Kamat SS, et al. Among authors: shoichet bk. J Am Chem Soc. 2011 Feb 23;133(7):2080-3. doi: 10.1021/ja110157u. Epub 2011 Jan 28. J Am Chem Soc. 2011. PMID: 21275375 Free PMC article.
The Enzyme Function Initiative.
Gerlt JA, Allen KN, Almo SC, Armstrong RN, Babbitt PC, Cronan JE, Dunaway-Mariano D, Imker HJ, Jacobson MP, Minor W, Poulter CD, Raushel FM, Sali A, Shoichet BK, Sweedler JV. Gerlt JA, et al. Among authors: shoichet bk. Biochemistry. 2011 Nov 22;50(46):9950-62. doi: 10.1021/bi201312u. Epub 2011 Oct 26. Biochemistry. 2011. PMID: 21999478 Free PMC article. Review.
277 results