Will Pitt
Will Pitt
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Arpeggio: a web server for calculating and visualising interatomic interactions in protein structures
HC Jubb, AP Higueruelo, B Ochoa-Montaņo, WR Pitt, DB Ascher, ...
Journal of molecular biology 429 (3), 365-371, 2017
The thermodynamics of protein–ligand interaction and solvation: insights for ligand design
TSG Olsson, MA Williams, WR Pitt, JE Ladbury
Journal of molecular biology 384 (4), 1002-1017, 2008
Heteroaromatic rings of the future
WR Pitt, DM Parry, BG Perry, CR Groom
Journal of medicinal chemistry 52 (9), 2952-2963, 2009
Atomic interactions and profile of small molecules disrupting protein–protein interfaces: the TIMBAL database
AP Higueruelo, A Schreyer, GRJ Bickerton, WR Pitt, CR Groom, ...
Chemical biology & drug design 74 (5), 457-467, 2009
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges
I Kufareva, V Katritch, RC Stevens, R Abagyan
Structure 22 (8), 1120-1139, 2014
Extent of enthalpy–entropy compensation in protein–ligand interactions
TSG Olsson, JE Ladbury, WR Pitt, MA Williams
Protein Science, 2011
Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids.
BG Tehan, EJ Lloyd, MG Wong, WR Pitt, JG Montana, DT Manallack, ...
Quantitative Structure‐Activity Relationships 21 (5), 457-472, 2002
Biophysical and computational fragment-based approaches to targeting protein–protein interactions: applications in structure-guided drug discovery
A Winter, AP Higueruelo, M Marsh, A Sigurdardottir, WR Pitt, TL Blundell
Quarterly reviews of biophysics 45 (4), 383-426, 2012
On the origins of enzyme inhibitor selectivity and promiscuity: a case study of protein kinase binding to staurosporine
D Tanramluk, A Schreyer, WR Pitt, TL Blundell
Chemical biology & drug design 74 (1), 16-24, 2009
Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds.
BG Tehan, EJ Lloyd, MG Wong, WR Pitt, E Gancia, DT Manallack
Quantitative Structure‐Activity Relationships 21 (5), 473-485, 2002
Identifying interactions that determine fragment binding at protein hotspots
CJ Radoux, TSG Olsson, WR Pitt, CR Groom, TL Blundell
Journal of medicinal chemistry 59 (9), 4314-4325, 2016
IRAK-4 inhibitors. Part III: a series of imidazo [1, 2-a] pyridines
GM Buckley, R Fosbeary, JL Fraser, L Gowers, AP Higueruelo, LA James, ...
Bioorganic & medicinal chemistry letters 18 (12), 3656-3660, 2008
Quinoxaline and quinoline derivatives as kinase inhibitors
DR Allen, GM Buckley, R Bürli, JR Davenport, N Kinsella, CJ Lock, ...
US Patent 8,399,483, 2013
IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo [1, 2-a] pyridine binding
GM Buckley, TA Ceska, JL Fraser, L Gowers, CR Groom, AP Higueruelo, ...
Bioorganic & medicinal chemistry letters 18 (11), 3291-3295, 2008
A consensus neural network-based technique for discriminating soluble and poorly soluble compounds
DT Manallack, BG Tehan, E Gancia, BD Hudson, MG Ford, ...
Journal of chemical information and computer sciences 43 (2), 674-679, 2003
Modelling of solvent positions around polar groups in proteins
WR Pitt, JM Goodfellow
Protein Engineering, Design and Selection 4 (5), 531-537, 1991
Selecting screening candidates for kinase and G protein-coupled receptor targets using neural networks
DT Manallack, WR Pitt, E Gancia, JG Montana, DJ Livingstone, MG Ford, ...
Journal of chemical information and computer sciences 42 (5), 1256-1262, 2002
IRAK-4 inhibitors. Part 1: A series of amides
GM Buckley, L Gowers, AP Higueruelo, K Jenkins, SR Mack, T Morgan, ...
Bioorganic & medicinal chemistry letters 18 (11), 3211-3214, 2008
Quinazolinethiones and quinazolinediones, novel inhibitors of inosine monophosphate dehydrogenase: synthesis and initial structure–activity relationships
GM Buckley, N Davies, HJ Dyke, PJ Gilbert, DR Hannah, AF Haughan, ...
Bioorganic & medicinal chemistry letters 15 (3), 751-754, 2005
Metabolism by aldehyde oxidase: drug design and complementary approaches to challenges in drug discovery
N Manevski, L King, WR Pitt, F Lecomte, F Toselli
Journal of Medicinal Chemistry 62 (24), 10955-10994, 2019
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