Heather Simmonite

Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-<i>d</i>]pyrimidine Inhibitors of the Hsp90 Molecular Chaperone

Paul A. Brough, Xavier Barril, Jenifer Borgognoni et al. · Journal of Medicinal Chemistry · 2009 · 173 citations · Full text

Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets

Nicolas Baurin, Fareed Aboul‐ela, Xavier Barril et al. · Journal of Chemical Information and Computer Sciences · 2004 · 130 citations

Drug Target, Structural Bioinformatics, Biomolecular Structure Prediction +19

Fragment Screening by Weak Affinity Chromatography: Comparison with Established Techniques for Screening against HSP90

Elinor Meiby, Heather Simmonite, Loic Le Strat et al. · Analytical Chemistry · 2013 · 59 citations

Hit Identification, Hsp90 Wac Columns, Fragment-based Lead Discovery +26

Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization

Nicholas G. Davies, Helen Browne, Ben Davis et al. · Bioorganic & Medicinal Chemistry · 2012 · 45 citations · Full text

Drug Target, Medicine, Natural Sciences +10

Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping

Christine M. Richardson, Claire L. Nunns, D.S. Williamson et al. · Bioorganic & Medicinal Chemistry Letters · 2007 · 44 citations · Full text

Medicinal Chemistry, Drug Target, Hit Identification +12