Quantifying the chemical beauty of drugs GR Bickerton, GV Paolini, J Besnard, S Muresan, AL Hopkins Nature chemistry 4 (2), 90-98, 2012 | 1713 | 2012 |
Automated design of ligands to polypharmacological profiles J Besnard, GF Ruda, V Setola, K Abecassis, RM Rodriguiz, XP Huang, ... Nature 492 (7428), 215-220, 2012 | 842 | 2012 |
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 | 194 | 2009 |
Meta-QSAR: a large-scale application of meta-learning to drug design and discovery I Olier, N Sadawi, GR Bickerton, J Vanschoren, C Grosan, L Soldatova, ... Machine Learning 107, 285-311, 2018 | 93 | 2018 |
A structural bioinformatics approach to the analysis of nonsynonymous single nucleotide polymorphisms (nsSNPs) and their relation to disease CL Worth, GRJ Bickerton, A Schreyer, JR Forman, TMK Cheng, S Lee, ... Journal of bioinformatics and computational biology 5 (06), 1297-1318, 2007 | 75 | 2007 |
Comprehensive, atomic-level characterization of structurally characterized protein-protein interactions: the PICCOLO database GR Bickerton, AP Higueruelo, TL Blundell BMC bioinformatics 12, 1-15, 2011 | 73 | 2011 |
Structural bioinformatics mutation analysis reveals genotype–phenotype correlations in von Hippel‐Lindau disease and suggests molecular mechanisms of tumorigenesis JR Forman, CL Worth, GRJ Bickerton, TG Eisen, TL Blundell Proteins: Structure, Function, and Bioinformatics 77 (1), 84-96, 2009 | 68 | 2009 |
Structural and functional restraints in the evolution of protein families and superfamilies S Gong, CL Worth, GRJ Bickerton, S Lee, D Tanramluk, TL Blundell Biochemical Society Transactions 37 (4), 727-733, 2009 | 51 | 2009 |
An ontology for description of drug discovery investigations D Qi, RD King, AL Hopkins, GRJ Bickerton, LN Soldatova Journal of integrative bioinformatics 7 (3), 156-168, 2010 | 49 | 2010 |
Quantifying the chemical beauty of drugs. Nat Chem 4: 90–98 GR Bickerton, GV Paolini, J Besnard, S Muresan, AL Hopkins, ... | 36 | 2012 |
Know your chemical space AL Hopkins, GR Bickerton Nature chemical biology 6 (7), 482-483, 2010 | 31 | 2010 |
Rapid Analysis of Pharmacology for Infectious Diseases A L Hopkins, G Richard Bickerton, I M Carruthers, S K Boyer, H Rubin, ... Current topics in medicinal chemistry 11 (10), 1292-1300, 2011 | 30 | 2011 |
What can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics? AP Higueruelo, A Schreyer, GRJ Bickerton, TL Blundell, WR Pitt PLoS One 7 (12), e51742, 2012 | 27 | 2012 |
Multi-task learning with a natural metric for quantitative structure activity relationship learning N Sadawi, I Olier, J Vanschoren, JN Van Rijn, J Besnard, R Bickerton, ... Journal of Cheminformatics 11 (1), 1-13, 2019 | 22 | 2019 |
Structural interactomics: informatics approaches to aid the interpretation of genetic variation and the development of novel therapeutics S Lee, A Brown, WR Pitt, AP Higueruelo, S Gong, GR Bickerton, ... Molecular Biosystems 5 (12), 1456-1472, 2009 | 10 | 2009 |
Molecular characterization and evolutionary plasticity of protein-protein interfaces GRJ Bickerton | 9 | 2011 |
An Ontology for Description of Drug Discovery Investigations GRJ Bickerton, AL Hopkins, RD King, D Qi, LN Soldatova http://journal. imbio. de/article. php? aid= 126, 0 | | |