| Arpeggio: a web server for calculating and visualising interatomic interactions in protein structures HC Jubb, AP Higueruelo, B Ochoa-Montaño, WR Pitt, DB Ascher, ... Journal of molecular biology 429 (3), 365-371, 2017 | 433 | 2017 |
| Heteroaromatic rings of the future WR Pitt, DM Parry, BG Perry, CR Groom Journal of medicinal chemistry 52 (9), 2952-2963, 2009 | 380 | 2009 |
| 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 | 366 | 2008 |
| 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 | 199 | 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 | 191 | 2014 |
| Extent of enthalpy–entropy compensation in protein–ligand interactions TSG Olsson, JE Ladbury, WR Pitt, MA Williams Protein Science, 2011 | 189 | 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 | 154 | 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 | 140 | 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 | 118 | 2009 |
| 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 | 107 | 2016 |
| 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 | 103 | 2002 |
| 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 | 96 | 2013 |
| 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 | 90 | 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 | 89 | 2003 |
| 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 | 86 | 2019 |
| 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 | 85 | 2008 |
| 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 | 77 | 2002 |
| Modelling of solvent positions around polar groups in proteins WR Pitt, JM Goodfellow Protein Engineering, Design and Selection 4 (5), 531-537, 1991 | 75 | 1991 |
| Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors M Alam, RE Beevers, T Ceska, RJ Davenport, KM Dickson, M Fortunato, ... Bioorganic & medicinal chemistry letters 17 (12), 3463-3467, 2007 | 69 | 2007 |
| 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 | 68 | 2008 |
Alicia HiguerueloIsomorphic Labsכתובת אימייל מאומתת בדומיין isomorphiclabs.com