Extent of enthalpy–entropy compensation in protein–ligand interactions
Olsson, Tjelvar S. G., Ladbury, John E., Pitt, Will R., Williams, Mark A.
Published in Protein science (01.09.2011)
Published in Protein science (01.09.2011)
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Journal Article
Biophysical and computational fragment-based approaches to targeting protein–protein interactions: applications in structure-guided drug discovery
Winter, Anja, Higueruelo, Alicia P., Marsh, May, Sigurdardottir, Anna, Pitt, Will R, Blundell, Tom L.
Published in Quarterly reviews of biophysics (01.11.2012)
Published in Quarterly reviews of biophysics (01.11.2012)
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Journal Article
Atomic Interactions and Profile of Small Molecules Disrupting Protein-Protein Interfaces: the TIMBAL Database
Higueruelo, Alícia P, Schreyer, Adrian, Bickerton, G. Richard J, Pitt, Will R, Groom, Colin R, Blundell, Tom L
Published in Chemical biology & drug design (01.11.2009)
Published in Chemical biology & drug design (01.11.2009)
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Journal Article
Identifying Interactions that Determine Fragment Binding at Protein Hotspots
Radoux, Chris J, Olsson, Tjelvar S. G, Pitt, Will R, Groom, Colin R, Blundell, Tom L
Published in Journal of medicinal chemistry (12.05.2016)
Published in Journal of medicinal chemistry (12.05.2016)
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Journal Article
Synthesis and structure–activity relationship of aminopyrimidine IKK2 inhibitors
Bingham, Alistair H., Davenport, Richard J., Fosbeary, Richard, Gowers, Lewis, Knight, Roland L., Lowe, Christopher, Owen, David A., Parry, David M., Pitt, Will R.
Published in Bioorganic & medicinal chemistry (15.06.2008)
Published in Bioorganic & medicinal chemistry (15.06.2008)
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Journal Article
Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids
Tehan, Benjamin G., Lloyd, Edward J., Wong, Margaret G., Pitt, Will R., Montana, John G., Manallack, David T., Gancia, Emanuela
Published in Quantitative structure-activity relationships (01.11.2002)
Published in Quantitative structure-activity relationships (01.11.2002)
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Journal Article
Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds
Tehan, Benjamin G., Lloyd, Edward J., Wong, Margaret G., Pitt, Will R., Gancia, Emanuela, Manallack, David T.
Published in Quantitative structure-activity relationships (01.11.2002)
Published in Quantitative structure-activity relationships (01.11.2002)
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Journal Article
A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds
Manallack, David T, Tehan, Benjamin G, Gancia, Emanuela, Hudson, Brian D, Ford, Martyn G, Livingstone, David J, Whitley, David C, Pitt, Will R
Published in Journal of Chemical Information and Computer Sciences (01.03.2003)
Published in Journal of Chemical Information and Computer Sciences (01.03.2003)
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Journal Article
Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks
Manallack, David T, Pitt, Will R, Gancia, Emanuela, Montana, John G, Livingstone, David J, Ford, Martyn G, Whitley, David C
Published in Journal of Chemical Information and Computer Sciences (01.09.2002)
Published in Journal of Chemical Information and Computer Sciences (01.09.2002)
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Journal Article
Database Searching for Thymidine and Thymidylate Kinase Inhibitors Using Three-dimensional Structure-based Methods
Manallack, David T., Pitt, Will R., Herdewijn, Piet, Balzarini, Jan, De Clercq, Erik, Sanderson, Mark R., Sohi, Maninder, Wien, Frank, Munier-Lehmann, Helene, Haouz, Ahmed, Delarue, Marc
Published in Journal of enzyme inhibition and medicinal chemistry (01.06.2002)
Published in Journal of enzyme inhibition and medicinal chemistry (01.06.2002)
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Journal Article
A Novel Series of Potent and Selective IKK2 Inhibitors
Bingham, Alistair H., Davenport, Richard J., Gowers, Lewis, Knight, Roland L., Lowe, Christopher, Owen, David A., Parry, David M., Pitt, Will R.
Published in ChemInform (04.05.2004)
Published in ChemInform (04.05.2004)
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