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Small molecule inhibitors of the LEDGF site of human immunodeficiency virus integrase identified by fragment screening and structure based design.
Peat TS, Rhodes DI, Vandegraaff N, Le G, Smith JA, Clark LJ, Jones ED, Coates JA, Thienthong N, Newman J, Dolezal O, Mulder R, Ryan JH, Savage GP, Francis CL, Deadman JJ. Peat TS, et al. Among authors: dolezal o. PLoS One. 2012;7(7):e40147. doi: 10.1371/journal.pone.0040147. Epub 2012 Jul 10. PLoS One. 2012. PMID: 22808106 Free PMC article.
An efficient high-throughput screening method for MYST family acetyltransferases, a new class of epigenetic drug targets.
Falk H, Connor T, Yang H, Loft KJ, Alcindor JL, Nikolakopoulos G, Surjadi RN, Bentley JD, Hattarki MK, Dolezal O, Murphy JM, Monahan BJ, Peat TS, Thomas T, Baell JB, Parisot JP, Street IP. Falk H, et al. Among authors: dolezal o. J Biomol Screen. 2011 Dec;16(10):1196-205. doi: 10.1177/1087057111421631. Epub 2011 Nov 14. J Biomol Screen. 2011. PMID: 22086725
The DINGO dataset: a comprehensive set of data for the SAMPL challenge.
Newman J, Dolezal O, Fazio V, Caradoc-Davies T, Peat TS. Newman J, et al. Among authors: dolezal o. J Comput Aided Mol Des. 2012 May;26(5):497-503. doi: 10.1007/s10822-011-9521-2. Epub 2011 Dec 21. J Comput Aided Mol Des. 2012. PMID: 22187139 Free PMC article.
Interrogating HIV integrase for compounds that bind--a SAMPL challenge.
Peat TS, Dolezal O, Newman J, Mobley D, Deadman JJ. Peat TS, et al. Among authors: dolezal o. J Comput Aided Mol Des. 2014 Apr;28(4):347-62. doi: 10.1007/s10822-014-9721-7. Epub 2014 Feb 16. J Comput Aided Mol Des. 2014. PMID: 24532034 Free PMC article.
Structure-based design and development of functionalized Mercaptoguanine derivatives as inhibitors of the folate biosynthesis pathway enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Staphylococcus aureus.
Dennis ML, Chhabra S, Wang ZC, Debono A, Dolezal O, Newman J, Pitcher NP, Rahmani R, Cleary B, Barlow N, Hattarki M, Graham B, Peat TS, Baell JB, Swarbrick JD. Dennis ML, et al. Among authors: dolezal o. J Med Chem. 2014 Nov 26;57(22):9612-26. doi: 10.1021/jm501417f. Epub 2014 Nov 12. J Med Chem. 2014. PMID: 25357262
80 results