John P. Overington

John P. Overington

Team Leader, Computational Chemical Biology

PhD Crystallography, Birkbeck College, London, 1990. Postdoctoral research, ICRF, 1990-1992. Pfizer 1992-2000. Inpharmatica 2000-2008. At EMBL-EBI since 2008.

ORCID iD: 0000-0002-5859-1064

Tel:+ 44 (0) 1223 492 666 (Internal 4467) / Fax:+ 44 (0) 1223 494 468

Research

Find out about research activity in the Overington research group

Overington team

The Chemogenomics team develops and manages ChEMBL, EMBL-EBI’s database of quantitative small molecule bioactivity data focussed in the area of drug discovery.

Although great progress has been made in developing biological drugs, synthetic small molecule and natural product-derived drugs still form the majority of novel life-saving drugs. The process complexity and costs of discovering new drugs has recently risen to the point where public-private partnerships are coming to the fore. Central to this is data sharing and availability of structure, binning, functional and ADMET data.

The ChEMBL database stores curated two-dimensional chemical structures and abstracted quantitative bioactivity data alongside calculated molecular properties. The majority of the ChEMBL data is derived by manual abstraction and curation from the primary scientific literature, and therefore cover a significant fraction of the structure–activity relationship (SAR) data for the discovery of modern drugs. Our associated research interests focus on data-mining ChEMBL data applied to drug-discovery challenges.

Publications

2014

'Big data' in pharmaceutical science: challenges and opportunities.
Dossetter AG, Ecker G, Laverty H, Overington J.
Future Med Chem Volume 6 (2014) p.857-864
DOI: 10.4155/fmc.14.45

Transporter assays and assay ontologies: useful tools for drug discovery.
Zdrazil B, Chichester C, Zander Balderud L, Engkvist O, Gaulton A, Overington JP.
Drug Discov Today Technol Volume 12 (2014) p.e47-54
DOI: 10.1016/j.ddtec.2014.03.005

Antibody informatics for drug discovery.
Shirai H, Prades C, Vita R, Marcatili P, Popovic B, Xu J, Overington JP, Hirayama K, Soga S, Tsunoyama K, Clark D, Lefranc MP, Ikeda K.
Biochim Biophys Acta Volume 1844 (2014) p.2002-2015

The ChEMBL bioactivity database: an update.
Bento AP, Gaulton A, Hersey A, Bellis LJ, Chambers J, Davies M, Krüger FA, Light Y, Mak L, McGlinchey S, Nowotka M, Papadatos G, Santos R, Overington JP.
Nucleic Acids Res Volume 42 (2014) p.d1083-90
DOI: 10.1093/nar/gkt1031

Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling.
van Westen GJ, Bender A, Overington JP.
J Chem Biol Volume 7 (2014) p.119-123
DOI: 10.1007/s12154-014-0112-2

An atlas of genetic influences on human blood metabolites.
Shin SY, Fauman EB, Petersen AK, Krumsiek J, Santos R, Huang J, Arnold M, Erte I, Forgetta V, Yang TP, Walter K, Menni C, Chen L, Vasquez L, Valdes AM, Hyde CL, Wang V, Ziemek D, Roberts P, Xi L, Grundberg E, Multiple Tissue Human Expression Resource (MuTHER) Consortium, Waldenberger M, Richards JB, Mohney RP, Milburn MV, John SL, Trimmer J, Theis FJ, Overington JP, Suhre K, Brosnan MJ, Gieger C, Kastenmüller G, Spector TD, Soranzo N.
Nat Genet Volume 46 (2014) p.543-550
DOI: 10.1038/ng.2982

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.
Chambers J, Davies M, Gaulton A, Papadatos G, Hersey A, Overington JP.
J Cheminform Volume 6 (2014) p.43
DOI: 10.1186/s13321-014-0043-5

A community computational challenge to predict the activity of pairs of compounds.
Bansal M, Yang J, Karan C, Menden MP, Costello JC, Tang H, Xiao G, Li Y, Allen J, Zhong R, Chen B, Kim M, Wang T, Heiser LM, Realubit R, Mattioli M, Alvarez MJ, Shen Y, NCI-DREAM Community, Gallahan D, Singer D, Saez-Rodriguez J, Xie Y, Stolovitzky G, Califano A, NCI-DREAM Community.
Nat Biotechnol Volume 32 (2014) p.1213-1222
DOI: 10.1038/nbt.3052

The ChEMBL database: a taster for medicinal chemists.
Papadatos G, Overington JP.
Future Med Chem Volume 6 (2014) p.361-364
DOI: 10.4155/fmc.14.8

The functional therapeutic chemical classification system.
Croset S, Overington JP, Rebholz-Schuhmann D.
Bioinformatics Volume 30 (2014) p.876-883
DOI: 10.1093/bioinformatics/btt628

A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.
Papadatos G, van Westen GJ, Croset S, Santos R, Trubian S, Overington JP.
J Cheminform Volume 6 (2014) p.40
DOI: 10.1186/s13321-014-0040-8

Chemical, target, and bioactive properties of allosteric modulation.
van Westen GJ, Gaulton A, Overington JP.
PLoS Comput Biol Volume 10 (2014) p.e1003559
DOI: 10.1371/journal.pcbi.1003559

myChEMBL: a virtual machine implementation of open data and cheminformatics tools.
Ochoa R, Davies M, Papadatos G, Atkinson F, Overington JP.
Bioinformatics Volume 30 (2014) p.298-300
DOI: 10.1093/bioinformatics/btt666

diXa: a Data Infrastructure for Chemical Safety Assessment.
Hendrickx DM, Aerts HJ, Caiment F, Clark D, Ebbels TM, Evelo CT, Gmuender H, Hebels DG, Herwig R, Hescheler J, Jennen DG, Jetten MJ, Kanterakis S, Keun HC, Matser V, Overington JP, Pilicheva E, Sarkans U, Segura-Lepe MP, Sotiriadou I, Wittenberger T, Wittwehr C, Zanzi A, Kleinjans JC.
Bioinformatics Volume (2014) p.

PPDMs-a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains.
Kruger FA, Gaulton A, Nowotka M, Overington JP.
Bioinformatics Volume (2014) p.
DOI: 10.1093/bioinformatics/btu711

A community effort to assess and improve drug sensitivity prediction algorithms.
Costello JC, Heiser LM, Georgii E, Gönen M, Menden MP, Wang NJ, Bansal M, Ammad-ud-din M, Hintsanen P, Khan SA, Mpindi JP, Kallioniemi O, Honkela A, Aittokallio T, Wennerberg K, NCI DREAM Community, Collins JJ, Gallahan D, Singer D, Saez-Rodriguez J, Kaski S, Gray JW, Stolovitzky G.
Nat Biotechnol Volume 32 (2014) p.1202-1212
DOI: 10.1038/nbt.2877

2013

Brain: biomedical knowledge manipulation.
Croset S, Overington JP, Rebholz-Schuhmann D.
Bioinformatics Volume 29 (2013) p.1238-1239
DOI: 10.1093/bioinformatics/btt109

Target prediction for an open access set of compounds active against Mycobacterium tuberculosis.
Martínez-Jiménez F, Papadatos G, Yang L, Wallace IM, Kumar V, Pieper U, Sali A, Brown JR, Overington JP, Marti-Renom MA.
PLoS Comput Biol Volume 9 (2013) p.e1003253
DOI: 10.1371/journal.pcbi.1003253

The EBI enzyme portal.
Alcántara R, Onwubiko J, Cao H, Matos Pd, Cham JA, Jacobsen J, Holliday GL, Fischer JD, Rahman SA, Jassal B, Goujon M, Rowland F, Velankar S, López R, Overington JP, Kleywegt GJ, Hermjakob H, O'Donovan C, Martín MJ, Thornton JM, Steinbeck C.
Nucleic Acids Res Volume 41 (2013) p.d773-80
DOI: 10.1093/nar/gks1112

UniChem: a unified chemical structure cross-referencing and identifier tracking system.
Chambers J, Davies M, Gaulton A, Hersey A, Velankar S, Petryszak R, Hastings J, Bellis L, McGlinchey S, Overington JP.
J Cheminform Volume 5 (2013) p.3
DOI: 10.1186/1758-2946-5-3

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
van Westen GJ, Swier RF, Cortes-Ciriano I, Wegner JK, Overington JP, Ijzerman AP, van Vlijmen HW, Bender A.
J Cheminform Volume 5 (2013) p.42
DOI: 10.1186/1758-2946-5-42

A ligand's-eye view of protein similarity.
van Westen GJ, Overington JP.
Nat Methods Volume 10 (2013) p.116-117
DOI: 10.1038/nmeth.2339

2012

ChEMBL: a large-scale bioactivity database for drug discovery.
Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP.
Nucleic Acids Res Volume 40 (2012) p.d1100-7
DOI: 10.1093/nar/gkr777

Open data for drug discovery: learning from the biological community.
Hersey A, Senger S, Overington JP.
Future Med Chem Volume 4 (2012) p.1865-1867
DOI: 10.4155/fmc.12.159

Annotating Human P-Glycoprotein Bioassay Data.
Zdrazil B, Pinto M, Vasanthanathan P, Williams AJ, Balderud LZ, Engkvist O, Chichester C, Hersey A, Overington JP, Ecker GF.
Mol Inform Volume 31 (2012) p.599-609
DOI: 10.1002/minf.201200059

Mapping small molecule binding data to structural domains.
Kruger FA, Rostom R, Overington JP.
BMC Bioinformatics Volume 13 Suppl 17 (2012) p.s11
DOI: 10.1186/1471-2105-13-s17-s11

Cheminformatics
Wegner JK, Sterling A, Guha R, Bender A, Faulon J-L, Hastings J, O'Boyle N, Overington J, Van Vlijmen H, Willighagen E.
Commun ACM Volume 55 (2012) p.65-75
DOI: 10.1145/2366316.2366334

Toxicogenomics Investigation Under the eTOX Project
Taboureau O, Hersey A, Audouze K, Gautier L, Jacobsen UP, Akhtar R, Atkinson F, Overington JP, Brunak S.
J Pharmacogenomics Pharmacoproteomics Volume S7 (2012) p.1-5

Global analysis of small molecule binding to related protein targets.
Kruger FA, Overington JP.
PLoS Comput Biol Volume 8 (2012) p.e1002333
DOI: 10.1371/journal.pcbi.1002333

2011

Rapid analysis of pharmacology for infectious diseases.
Hopkins AL, Bickerton GR, Carruthers IM, Boyer SK, Rubin H, Overington JP.
Curr Top Med Chem Volume 11 (2011) p.1292-1300
DOI: 10.2174/156802611795429130

Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space.
van der Horst E, Peironcely JE, van Westen GJ, van den Hoven OO, Galloway WR, Spring DR, Wegner JK, van Vlijmen HW, Ijzerman AP, Overington JP, Bender A.
Curr Top Med Chem Volume 11 (2011) p.1964-1977
DOI: 10.2174/156802611796391230

Probing the links between in vitro potency, ADMET and physicochemical parameters.
Gleeson MP, Hersey A, Montanari D, Overington J.
Nat Rev Drug Discov Volume 10 (2011) p.197-208
DOI: 10.1038/nrd3367

Minimum information about a bioactive entity (MIABE).
Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, Larminie C, Lynch N, Mann RK, Murray-Rust P, Lo Piparo E, Southan C, Steinbeck C, Wishart D, Hermjakob H, Overington J, Thornton J.
Nat Rev Drug Discov Volume 10 (2011) p.661-669
DOI: 10.1038/nrd3503

Collation and data-mining of literature bioactivity data for drug discovery.
Bellis LJ, Akhtar R, Al-Lazikani B, Atkinson F, Bento AP, Chambers J, Davies M, Gaulton A, Hersey A, Ikeda K, Krüger FA, Light Y, McGlinchey S, Santos R, Stauch B, Overington JP.
Biochem Soc Trans Volume 39 (2011) p.1365-1370
DOI: 10.1042/bst0391365

PSICQUIC and PSISCORE: accessing and scoring molecular interactions.
Aranda B, Blankenburg H, Kerrien S, Brinkman FS, Ceol A, Chautard E, Dana JM, De Las Rivas J, Dumousseau M, Galeota E, Gaulton A, Goll J, Hancock RE, Isserlin R, Jimenez RC, Kerssemakers J, Khadake J, Lynn DJ, Michaut M, O'Kelly G, Ono K, Orchard S, Prieto C, Razick S, Rigina O, Salwinski L, Simonovic M, Velankar S, Winter A, Wu G, Bader GD, Cesareni G, Donaldson IM, Eisenberg D, Kleywegt GJ, Overington J, Ricard-Blum S, Tyers M, Albrecht M, Hermjakob H.
Nat Methods Volume 8 (2011) p.528-529
DOI: 10.1038/nmeth.1637

2010

Role of open chemical data in aiding drug discovery and design.
Gaulton A, Overington JP.
Future Med Chem Volume 2 (2010) p.903-907
DOI: 10.4155/fmc.10.191

Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation.
Abad-Zapatero C, Perišić O, Wass J, Bento AP, Overington J, Al-Lazikani B, Johnson ME.
Drug Discov Today Volume 15 (2010) p.804-811
DOI: 10.1016/j.drudis.2010.08.004

2009

New open drug activity data at EBI
Steinbeck C, Al-Lazikani B, Hermjakob H, Overington J, Thornton J.
Chemistry Central Journal Volume 3 (2009) p.o3
DOI: 10.1186/1752-153x-3-s1-o3

The genome of the blood fluke Schistosoma mansoni.
Berriman M, Haas BJ, LoVerde PT, Wilson RA, Dillon GP, Cerqueira GC, Mashiyama ST, Al-Lazikani B, Andrade LF, Ashton PD, Aslett MA, Bartholomeu DC, Blandin G, Caffrey CR, Coghlan A, Coulson R, Day TA, Delcher A, DeMarco R, Djikeng A, Eyre T, Gamble JA, Ghedin E, Gu Y, Hertz-Fowler C, Hirai H, Hirai Y, Houston R, Ivens A, Johnston DA, Lacerda D, Macedo CD, McVeigh P, Ning Z, Oliveira G, Overington JP, Parkhill J, Pertea M, Pierce RJ, Protasio AV, Quail MA, Rajandream MA, Rogers J, Sajid M, Salzberg SL, Stanke M, Tivey AR, White O, Williams DL, Wortman J, Wu W, Zamanian M, Zerlotini A, Fraser-Liggett CM, Barrell BG, El-Sayed NM.
Nature Volume 460 (2009) p.352-358
DOI: 10.1038/nature08160

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr.
Overington J.
J Comput Aided Mol Des Volume 23 (2009) p.195-198
DOI: 10.1007/s10822-009-9260-9

2008

Genomic-scale prioritization of drug targets: the TDR Targets database.
Agüero F, Al-Lazikani B, Aslett M, Berriman M, Buckner FS, Campbell RK, Carmona S, Carruthers IM, Chan AW, Chen F, Crowther GJ, Doyle MA, Hertz-Fowler C, Hopkins AL, McAllister G, Nwaka S, Overington JP, Pain A, Paolini GV, Pieper U, Ralph SA, Riechers A, Roos DS, Sali A, Shanmugam D, Suzuki T, Van Voorhis WC, Verlinde CL.
Nat Rev Drug Discov Volume 7 (2008) p.900-907
DOI: 10.1038/nrd2684

2007

The molecular basis of predicting druggability
Al-Lazikani B, Gaulton A, Paolini G, Lanfear J, Overington J, Hopkins A.
Volume (2007) p.1315–1334
DOI: 10.1002/9783527619368.ch36

2006

Can we rationally design promiscuous drugs?
Hopkins AL, Mason JS, Overington JP.
Curr Opin Struct Biol Volume 16 (2006) p.127-136
DOI: 10.1016/j.sbi.2006.01.013

How many drug targets are there?
Overington JP, Al-Lazikani B, Hopkins AL.
Nat Rev Drug Discov Volume 5 (2006) p.993-996
DOI: 10.1038/nrd2199

2005

MODULATING CELL ACTIVITY BY USING AN AGENT THAT REDUCES THE LEVEL OF CHOLESTEROL WITHIN A CELL
ALLEN Janet Marjorie, OVERINGTON John Paul.
Volume (2005) p.

2004

PDBLIG: classification of small molecular protein binding in the Protein Data Bank.
Chalk AJ, Worth CL, Overington JP, Chan AW.
J Med Chem Volume 47 (2004) p.3807-3816
DOI: 10.1021/jm040804f

Pleiotropic Effects of Statins
Floto A, Overington J, Allen J.
Annu Rep Med Chem Volume 39 (2004) p.239–258
DOI: 10.1016/s0065-7743(04)39019-6

2003

Recent development in cheminformatics and chemogenomics
Edith Chan AW, Overington JP.
Annu Rep Med Chem Volume 38 (2003) p.285–294
DOI: 10.1016/s0065-7743(03)38029-7

2002

NICASTRIN PROTEIN
FAGAN RICHARD JOSEPH, OVERINGTON JOHN PAUL, SWINDELLS MARK BASIL, WEIR MALCOLM.
Volume (2002) p.

Expanding and exploring cellular pathways for novel drug targets
Weir MP, Overington JP, Schwarz M.
Annu Rep Med Chem Volume 37 (2002) p.187–196
DOI: 10.1016/s0065-7743(02)37020-9

Design of selective thrombin inhibitors based on the (R)-Phe-Pro-Arg sequence.
Danilewicz JC, Abel SM, Brown AD, Fish PV, Hawkeswood E, Holland SJ, James K, McElroy AB, Overington J, Powling MJ, Rance DJ.
J Med Chem Volume 45 (2002) p.2432-2453
DOI: 10.1021/jm011133d

Prioritizing the proteome: identifying pharmaceutically relevant targets.
Swindells MB, Overington JP.
Drug Discov Today Volume 7 (2002) p.516-521
DOI: 10.1016/s1359-6446(02)02250-x

Synthesis of macrocyclic, potential protease inhibitors using a generic scaffold.
Dumez E, Snaith JS, Jackson RF, McElroy AB, Overington J, Wythes MJ, Withka JM, McLellan TJ.
J Org Chem Volume 67 (2002) p.4882-4892
DOI: 10.1021/jo025615o

Protein sequence analysis in silico: application of structure-based bioinformatics to genomic initiatives.
Michalovich D, Overington J, Fagan R.
Curr Opin Pharmacol Volume 2 (2002) p.574-580
DOI: 10.1016/s1471-4892(02)00202-3

2001

Nicastrin, a presenilin-interacting protein, contains an aminopeptidase/transferrin receptor superfamily domain.
Fagan R, Swindells M, Overington J, Weir M.
Trends Biochem Sci Volume 26 (2001) p.213-214
DOI: 10.1016/s0968-0004(01)01789-3

1998

JOY: protein sequence-structure representation and analysis.
Mizuguchi K, Deane CM, Blundell TL, Johnson MS, Overington JP.
Bioinformatics Volume 14 (1998) p.617-623
DOI: 10.1093/bioinformatics/14.7.617

Protein three-dimensional structural databases: domains, structurally aligned homologues and superfamilies.
Sowdhamini R, Burke DF, Deane C, Huang JF, Mizuguchi K, Nagarajaram HA, Overington JP, Srinivasan N, Steward RE, Blundell TL.
Acta Crystallogr D Biol Crystallogr Volume 54 (1998) p.1168-1177
DOI: 10.1107/s0907444998007148

HOMSTRAD: a database of protein structure alignments for homologous families.
Mizuguchi K, Deane CM, Blundell TL, Overington JP.
Protein Sci Volume 7 (1998) p.2469-2471
DOI: 10.1002/pro.5560071126

1996

Discrimination of common protein folds: application of protein structure to sequence/structure comparisons.
Johnson MS, May AC, Rodionov MA, Overington JP.
Methods Enzymol Volume 266 (1996) p.575-598
DOI: 10.1016/s0076-6879(96)66036-4

1994

The prediction and orientation of alpha-helices from sequence alignments: the combined use of environment-dependent substitution tables, Fourier transform methods and helix capping rules.
Donnelly D, Overington JP, Blundell TL.
Protein Eng Volume 7 (1994) p.645-653
DOI: 10.1093/protein/7.5.645

Comparative modelling of major house dust mite allergen Der p I: structure validation using an extended environmental amino acid propensity table.
Topham CM, Srinivasan N, Thorpe CJ, Overington JP, Kalsheker NA.
Protein Eng Volume 7 (1994) p.869-894
DOI: 10.1093/protein/7.7.869

Derivation of rules for comparative protein modeling from a database of protein structure alignments.
Sali A, Overington JP.
Protein Sci Volume 3 (1994) p.1582-1596
DOI: 10.1002/pro.5560030923

The comparison of structures and sequences: alignment, searching and the detection of common folds
Johnson MS, Overington JP, Edwards Y, May ACW, Rodionov MA.
Volume (1994) p.296
DOI: 10.1109/hicss.1994.323567

1993

Molecular recognition in protein families: a database of aligned three-dimensional structures of related proteins.
Overington JP, Zhu ZY, Sali A, Johnson MS, Sowdhamini R, Louie GV, Blundell TL.
Biochem Soc Trans Volume 21 ( Pt 3) (1993) p.597-604

Fragment ranking in modelling of protein structure. Conformationally constrained environmental amino acid substitution tables.
Topham CM, McLeod A, Eisenmenger F, Overington JP, Johnson MS, Blundell TL.
J Mol Biol Volume 229 (1993) p.194-220
DOI: 10.1006/jmbi.1993.1018

Modeling alpha-helical transmembrane domains: the calculation and use of substitution tables for lipid-facing residues.
Donnelly D, Overington JP, Ruffle SV, Nugent JH, Blundell TL.
Protein Sci Volume 2 (1993) p.55-70

Alignment and searching for common protein folds using a data bank of structural templates.
Johnson MS, Overington JP, Blundell TL.
J Mol Biol Volume 231 (1993) p.735-752
DOI: 10.1006/jmbi.1993.1323

Modelling of the lignin peroxidase LIII of Phlebia radiata: use of a sequence template generated from a 3-D structure.
Hoffrén AM, Saloheimo M, Thomas P, Overington JP, Johnson MS, Knowles JK, Blundell TL.
Protein Eng Volume 6 (1993) p.177-182
DOI: 10.1093/protein/6.2.177

1992

Structural constraints on residue substitution.
Overington J.
Genet Eng (N Y) Volume 14 (1992) p.231-249

From modelling homologous proteins to prediction of structure
Šali A, Overington JP, Johnson MS, Blundell TL.
Volume (1992) p.231-245

Environment-specific amino acid substitution tables: tertiary templates and prediction of protein folds.
Overington J, Donnelly D, Johnson MS, Sali A, Blundell TL.
Protein Sci Volume 1 (1992) p.216-226
DOI: 10.1002/pro.5560010203

1991

Structure-function relationships in the cysteine proteinases actinidin, papain and papaya proteinase omega. Three-dimensional structure of papaya proteinase omega deduced by knowledge-based modelling and active-centre characteristics determined by two-hydronic-state reactivity probe kinetics and kinetics of catalysis.
Topham CM, Salih E, Frazao C, Kowlessur D, Overington JP, Thomas M, Brocklehurst SM, Patel M, Thomas EW, Brocklehurst K.
Biochem J Volume 280 ( Pt 1) (1991) p.79-92

1990

Investigation of mechanistic consequences of natural structural variation within the cysteine proteinases by knowledge-based modelling and kinetic methods.
Topham CM, Overington J, Kowlessur D, Thomas M, Thomas EW, Brocklehurst K.
Biochem Soc Trans Volume 18 (1990) p.579-580

From comparative structure analysis to protein engineering: knowledge-based protein modelling and design (in Symposium 1: Structure and engineering of proteins: New Developments)
Johnson MS, Overington J, Šali A, Zhu Z, Donnelly D, Thomas P, McCleod A, Goold R, Topham C, Blundell TL.
Fresenius J Anal Chem Volume 337 (1990) p.1-2
DOI: 10.1007/bf00325709

From the comparative analysis of proteins to knowledge based modeling
Johnson MS, Overington J, Šali A, Thomas P, Blundell TL.
J Mol Graph Model Volume 8 (1990) p.231
DOI: 10.1016/0263-7855(90)80017-a

From comparisons of protein sequences and structures to protein modelling and design.
Sali A, Overington JP, Johnson MS, Blundell TL.
Trends Biochem Sci Volume 15 (1990) p.235-240
DOI: 10.1016/0968-0004(90)90036-b

Knowledge-Based Protein Modelling: Human Plasma Kallikrein and Human Neutrophil Defensin
Johnson MS, Overington JP, Šali A.
Volume (1990) p.567-574

Three-dimensional structure and thiol reactivity characteristics of chymopapain M (papaya proteinase IV).
Topham CM, Overington J, Thomas M, Kowlessur D, Thomas EW, Brocklehurst K.
Biochem Soc Trans Volume 18 (1990) p.934-935

Tertiary structural constraints on protein evolutionary diversity: templates, key residues and structure prediction.
Overington J, Johnson MS, Sali A, Blundell TL.
Proc Biol Sci Volume 241 (1990) p.132-145
DOI: 10.1098/rspb.1990.0077

Three-dimensional structure of a B-type chymopapain.
Topham CM, Overington J, O'driscoll M, Salih E, Thomas M, Thomas EW, Brocklehurst K.
Biochem Soc Trans Volume 18 (1990) p.933-934

An assessment of COMPOSER: a rule-based approach to modelling protein structure.
Topham CM, Thomas P, Overington JP, Johnson MS, Eisenmenger F, Blundell TL.
Biochem Soc Symp Volume 57 (1990) p.1-9

1989

X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes.
Lapatto R, Blundell T, Hemmings A, Overington J, Wilderspin A, Wood S, Merson JR, Whittle PJ, Danley DE, Geoghegan KF.
Nature Volume 342 (1989) p.299-302
DOI: 10.1038/342299a0

Protein engineering and design.
Blundell TL, Elliott G, Gardner SP, Hubbard T, Islam S, Johnson M, Mantafounis D, Murray-Rust P, Overington J, Pitts JE.
Philos Trans R Soc Lond B Biol Sci Volume 324 (1989) p.447-460

1988

18th Sir Hans Krebs lecture. Knowledge-based protein modelling and design.
Blundell T, Carney D, Gardner S, Hayes F, Howlin B, Hubbard T, Overington J, Singh DA, Sibanda BL, Sutcliffe M.
Eur J Biochem Volume 172 (1988) p.513-520
DOI: 10.1111/j.1432-1033.1988.tb13917.x

0

MODELLER: A Program for Protein Structure Modeling
Šali A, Webb B, Madhusudhan MS, Shen MY, Marti-Renom MA, Eswar N, Alber F, Topf M, Oliva B, Fiser A, Sánchez R, Yerkovich B, Badretdinov A, Melo F, Overington JP, Feyfant E.
Volume (0) p.

Team members

Francis Atkinson
Louisa Bellis
Patricia Bento
Jon Chambers
Mark Davies
Nathan Dedman
Anna Gaulton
Anne Hersey
Kathryn Holmes
Alagurevathi (Reva) Jayakumar
Maria Paula Magarinos
Prudence Mutowo
Michal Nowotka
George Papadatos
James Siddle
Ines Smit