Publications & Presentations


Our scientists are recognised as world leaders in fragment-based discovery. Some of their influential publications and upcoming engagements at major conferences are listed below.

Selected publication highlights are:



Off-Rate Screening (ORS) By Surface Plasmon Resonance. An Efficient Method to Kinetically Sample Hit to Lead Chemical Space from Unpurified Reaction Products. James B. Murray, Stephen D. Roughley, Natalia Matassova, and Paul A. Brough J. Med. Chem., Articles ASAP (As Soon As Publishable) Publication Date (Web): February 12, 2014 (Brief Article) DOI: 10.1021/jm401848a.

2.  Hsp90 inhibitors and drugs from fragment and virtual screening, Roughley SD, Wright L, Brough P, Massey A, Hubbard RE Top Curr Chem. 2012:317:61-82 PMID: 21647838.

3.  The Medicinal Chemist's Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates. Roughley SD, Jordan AM. J Med Chem. 2011 May 26;54(10):3451-79. PMID: 21504168.

4.  Experiences in fragment-based lead discovery. Hubbard RE, Murray JB. Methods Enzymol. 2011;493:509-31. PMID: 21371604.

5.  How Well Can Fragments Explore Accessed Chemical Space? A Case Study from Heat Shock Protein 90. Roughley SD, Hubbard RE.J Med Chem. 2011 May 24. [Epub ahead of print] No abstract available. PMID: 21561141 [PubMed - as supplied by publisher] Related citations.

6. Chen IJ, Foloppe N. Drug-like bioactive structures and conformational coverage with the LigPrep/ConfGen suite: comparison to programs MOE and catalyst. J Chem Inf Model. 2010 May 24;50(5):822-39. PubMed PMID: 20423098.

7. Brough, P.A. et al (2009), "Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-d]pyrimidine Inhibitors of the Hsp90 Molecular Chaperone", J Med Chem, 52, 4794-4809.



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