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Page 1
The multiple roles of computational chemistry in fragment-based drug design.
Law R, Barker O, Barker JJ, Hesterkamp T, Godemann R, Andersen O, Fryatt T, Courtney S, Hallett D, Whittaker M. Law R, et al. Among authors: whittaker m. J Comput Aided Mol Des. 2009 Aug;23(8):459-73. doi: 10.1007/s10822-009-9284-1. Epub 2009 Jun 17. J Comput Aided Mol Des. 2009. PMID: 19533374
Fragment-based identification of Hsp90 inhibitors.
Barker JJ, Barker O, Boggio R, Chauhan V, Cheng RK, Corden V, Courtney SM, Edwards N, Falque VM, Fusar F, Gardiner M, Hamelin EM, Hesterkamp T, Ichihara O, Jones RS, Mather O, Mercurio C, Minucci S, Montalbetti CA, Müller A, Patel D, Phillips BG, Varasi M, Whittaker M, Winkler D, Yarnold CJ. Barker JJ, et al. Among authors: whittaker m. ChemMedChem. 2009 Jun;4(6):963-6. doi: 10.1002/cmdc.200900011. ChemMedChem. 2009. PMID: 19301319
Cross-linking of protein crystals as an aid in the generation of binary protein-ligand crystal complexes, exemplified by the human PDE10a-papaverine structure.
Andersen OA, Schönfeld DL, Toogood-Johnson I, Felicetti B, Albrecht C, Fryatt T, Whittaker M, Hallett D, Barker J. Andersen OA, et al. Among authors: whittaker m. Acta Crystallogr D Biol Crystallogr. 2009 Aug;65(Pt 8):872-4. doi: 10.1107/S0907444909017855. Epub 2009 Jul 17. Acta Crystallogr D Biol Crystallogr. 2009. PMID: 19622871
Discovery of a novel Hsp90 inhibitor by fragment linking.
Barker JJ, Barker O, Courtney SM, Gardiner M, Hesterkamp T, Ichihara O, Mather O, Montalbetti CA, Müller A, Varasi M, Whittaker M, Yarnold CJ. Barker JJ, et al. Among authors: whittaker m. ChemMedChem. 2010 Oct 4;5(10):1697-700. doi: 10.1002/cmdc.201000219. ChemMedChem. 2010. PMID: 20665758 No abstract available.
Fragment screening by biochemical assay.
Barker J, Courtney S, Hesterkamp T, Ullmann D, Whittaker M. Barker J, et al. Among authors: whittaker m. Expert Opin Drug Discov. 2006 Aug;1(3):225-36. doi: 10.1517/17460441.1.3.225. Expert Opin Drug Discov. 2006. PMID: 23495844
Compound Design by Fragment-Linking.
Ichihara O, Barker J, Law RJ, Whittaker M. Ichihara O, et al. Among authors: whittaker m. Mol Inform. 2011 Apr 18;30(4):298-306. doi: 10.1002/minf.201000174. Epub 2011 Apr 6. Mol Inform. 2011. PMID: 27466947
Fragment-based activity space: smaller is better.
Hesterkamp T, Whittaker M. Hesterkamp T, et al. Among authors: whittaker m. Curr Opin Chem Biol. 2008 Jun;12(3):260-8. doi: 10.1016/j.cbpa.2008.02.005. Epub 2008 Mar 19. Curr Opin Chem Biol. 2008. PMID: 18316043 Review.
586 results