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New Frontiers in Druggability.
Kozakov D, Hall DR, Napoleon RL, Yueh C, Whitty A, Vajda S. Kozakov D, et al. Among authors: whitty a. J Med Chem. 2015 Dec 10;58(23):9063-88. doi: 10.1021/acs.jmedchem.5b00586. Epub 2015 Aug 11. J Med Chem. 2015. PMID: 26230724 Free PMC article.
Structural conservation of druggable hot spots in protein-protein interfaces.
Kozakov D, Hall DR, Chuang GY, Cencic R, Brenke R, Grove LE, Beglov D, Pelletier J, Whitty A, Vajda S. Kozakov D, et al. Among authors: whitty a. Proc Natl Acad Sci U S A. 2011 Aug 16;108(33):13528-33. doi: 10.1073/pnas.1101835108. Epub 2011 Aug 1. Proc Natl Acad Sci U S A. 2011. PMID: 21808046 Free PMC article.
How proteins bind macrocycles.
Villar EA, Beglov D, Chennamadhavuni S, Porco JA Jr, Kozakov D, Vajda S, Whitty A. Villar EA, et al. Among authors: whitty a. Nat Chem Biol. 2014 Sep;10(9):723-31. doi: 10.1038/nchembio.1584. Epub 2014 Jul 20. Nat Chem Biol. 2014. PMID: 25038790 Free PMC article.
Fragments and hot spots in drug discovery.
Vajda S, Whitty A, Kozakov D. Vajda S, et al. Among authors: whitty a. Oncotarget. 2015 Aug 7;6(22):18740-1. doi: 10.18632/oncotarget.4968. Oncotarget. 2015. PMID: 26300051 Free PMC article. No abstract available.
Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery.
Hall DR, Kozakov D, Whitty A, Vajda S. Hall DR, et al. Among authors: whitty a. Trends Pharmacol Sci. 2015 Nov;36(11):724-736. doi: 10.1016/j.tips.2015.08.003. Epub 2015 Nov 1. Trends Pharmacol Sci. 2015. PMID: 26538314 Free PMC article. Review.
Exploring the structural origins of cryptic sites on proteins.
Beglov D, Hall DR, Wakefield AE, Luo L, Allen KN, Kozakov D, Whitty A, Vajda S. Beglov D, et al. Among authors: whitty a. Proc Natl Acad Sci U S A. 2018 Apr 10;115(15):E3416-E3425. doi: 10.1073/pnas.1711490115. Epub 2018 Mar 26. Proc Natl Acad Sci U S A. 2018. PMID: 29581267 Free PMC article.
108 results