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Protein Science : a Publication of the Protein Society|July 9, 2011
Extent of enthalpy-entropy compensation in protein-ligand interactionsTjelvar S G Olsson, John E Ladbury, Will R Pitt, et al.
Quarterly Reviews of Biophysics|September 14, 2012
Biophysical and computational fragment-based approaches to targeting protein-protein interactions: applications in structure-guided drug discoveryAnja Winter, Alicia P Higueruelo, May Marsh, et al.
Plos One|December 15, 2012
What can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?Alicia P Higueruelo, Adrian Schreyer, G Richard J Bickerton, et al.
Journal of Medicinal Chemistry|April 5, 2016
Identifying Interactions that Determine Fragment Binding at Protein HotspotsChris J Radoux, Tjelvar S G Olsson, Will R Pitt, et al.
Chemical Biology & Drug Design|October 9, 2009
Atomic interactions and profile of small molecules disrupting protein-protein interfaces: the TIMBAL databaseAlícia P Higueruelo, Adrian Schreyer, G Richard J Bickerton, et al.
Journal of Molecular Biology|December 15, 2016
Arpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein StructuresHarry C Jubb, Alicia P Higueruelo, Bernardo Ochoa-Montaño, et al.
Journal of Chemical Information and Computer Sciences|October 16, 2002
Selecting screening candidates for kinase and G protein-coupled receptor targets using neural networksDavid T Manallack, Will R Pitt, Emanuela Gancia, et al.
Bioorganic & Medicinal Chemistry Letters|December 31, 2003
A novel series of potent and selective IKK2 inhibitorsAlistair H Bingham, Richard J Davenport, Lewis Gowers, et al.
Journal of Chemical Information and Computer Sciences|March 26, 2003
A consensus neural network-based technique for discriminating soluble and poorly soluble compoundsDavid T Manallack, Benjamin G Tehan, Emanuela Gancia, et al.
Bioorganic & Medicinal Chemistry Letters|May 27, 2008
Synthesis and structure-activity relationship of aminopyrimidine IKK2 inhibitorsAlistair H Bingham, Richard J Davenport, Richard Fosbeary, et al.
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