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Page 1
A genetic algorithm for structure-based de novo design.
Pegg SC, Haresco JJ, Kuntz ID. Pegg SC, et al. J Comput Aided Mol Des. 2001 Oct;15(10):911-33. doi: 10.1023/a:1014389729000. J Comput Aided Mol Des. 2001. PMID: 11918076
Development and validation of a modular, extensible docking program: DOCK 5.
Moustakas DT, Lang PT, Pegg S, Pettersen E, Kuntz ID, Brooijmans N, Rizzo RC. Moustakas DT, et al. J Comput Aided Mol Des. 2006 Oct-Nov;20(10-11):601-19. doi: 10.1007/s10822-006-9060-4. Epub 2006 Dec 6. J Comput Aided Mol Des. 2006. PMID: 17149653
Shotgun: getting more from sequence similarity searches.
Pegg SC, Babbitt PC. Pegg SC, et al. Bioinformatics. 1999 Sep;15(9):729-40. doi: 10.1093/bioinformatics/15.9.729. Bioinformatics. 1999. PMID: 10498773
Functional assignment of the 20 S proteasome from Trypanosoma brucei using mass spectrometry and new bioinformatics approaches.
Huang L, Jacob RJ, Pegg SC, Baldwin MA, Wang CC, Burlingame AL, Babbitt PC. Huang L, et al. Among authors: pegg sc. J Biol Chem. 2001 Jul 27;276(30):28327-39. doi: 10.1074/jbc.M008342200. Epub 2001 Apr 17. J Biol Chem. 2001. PMID: 11309374 Free article.
Leveraging enzyme structure-function relationships for functional inference and experimental design: the structure-function linkage database.
Pegg SC, Brown SD, Ojha S, Seffernick J, Meng EC, Morris JH, Chang PJ, Huang CC, Ferrin TE, Babbitt PC. Pegg SC, et al. Biochemistry. 2006 Feb 28;45(8):2545-55. doi: 10.1021/bi052101l. Biochemistry. 2006. PMID: 16489747
Representing structure-function relationships in mechanistically diverse enzyme superfamilies.
Pegg SC, Brown S, Ojha S, Huang CC, Ferrin TE, Babbitt PC. Pegg SC, et al. Pac Symp Biocomput. 2005:358-69. Pac Symp Biocomput. 2005. PMID: 15759641 Free article.
SitePrint: three-dimensional pharmacophore descriptors derived from protein binding sites for family based active site analysis, classification, and drug design.
Arnold JR, Burdick KW, Pegg SC, Toba S, Lamb ML, Kuntz ID. Arnold JR, et al. Among authors: pegg sc. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2190-8. doi: 10.1021/ci049814f. J Chem Inf Comput Sci. 2004. PMID: 15554689
Intersect: identification and visualization of overlaps in database search results.
Pegg SC, Novak WR, Babbitt PC. Pegg SC, et al. Bioinformatics. 2003 Oct 12;19(15):1997-9. doi: 10.1093/bioinformatics/btg256. Bioinformatics. 2003. PMID: 14555634
Biocuration in the structure-function linkage database: the anatomy of a superfamily.
Holliday GL, Brown SD, Akiva E, Mischel D, Hicks MA, Morris JH, Huang CC, Meng EC, Pegg SC, Ferrin TE, Babbitt PC. Holliday GL, et al. Among authors: pegg sc. Database (Oxford). 2017 Jan 1;2017:bax045. doi: 10.1093/database/bax045. Database (Oxford). 2017. PMID: 28605775 Free PMC article. No abstract available.
Biocuration in the structure-function linkage database: the anatomy of a superfamily.
Holliday GL, Brown SD, Akiva E, Mischel D, Hicks MA, Morris JH, Huang CC, Meng EC, Pegg SC, Ferrin TE, Babbitt PC. Holliday GL, et al. Among authors: pegg sc. Database (Oxford). 2017 Jan 1;2017(1):bax006. doi: 10.1093/database/bax006. Database (Oxford). 2017. PMID: 28365730 Free PMC article.
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