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Peter Willett

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TOP 3
Peter Willett
Combination of similarity rankings using data fusion.
Chia-Wei Chu; John D Holliday; Peter Willett
Combining multiple classifications of chemical structures using consensus clustering.
Hazrina Y Hamdani; Peter Willett; Sri D Appasamy; Peter J Artymiuk; Mohd Firdaus-Raih
NASSAM: a server to search for and annotate tertiary interactions and motifs in three-dimensional structures of complex RNA molecules.

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All Publications

2013: Peter Willett
Combination of similarity rankings using data fusion.
Journal of chemical information and modeling 2013;53(1):1-10.
2012: Chia-Wei Chu; John D Holliday; Peter Willett
Combining multiple classifications of chemical structures using consensus clustering.
Bioorganic & medicinal chemistry 2012;20(18):5366-71.
2012: Hazrina Y Hamdani; Peter Willett; Sri D Appasamy; Peter J Artymiuk; Mohd Firdaus-Raih
NASSAM: a server to search for and annotate tertiary interactions and motifs in three-dimensional structures of complex RNA molecules.
Nucleic acids research 2012;40(Web Server issue):W35-41.
2012: Nurul Nadzirin; Peter Willett; Peter J Artymiuk; Eleanor J Gardiner; Mohd Firdaus-Raih
SPRITE and ASSAM: web servers for side chain 3D-motif searching in protein structures.
Nucleic acids research 2012;40(Web Server issue):W380-6.
2012: Peter Willett
The Journal of Computer-Aided Molecular Design: a bibliometric note.
Journal of computer-aided molecular design 2012;26(1):153-7.
2011: Mohd Firdaus-Raih; Anne-Marie Harrison; Peter Willett; Peter J Artymiuk
Novel base triples in RNA structures revealed by graph theoretical searching methods.
BMC bioinformatics 2011;12 Suppl 13():S2.
2011: Simon Read; Peter Willett; Peter Bath; Ravi Maheswaran
Measuring the spatial accuracy of the spatial scan statistic.
Spatial and spatio-temporal epidemiology 2011;2(2):69-78.
2011: Eleanor J Gardiner; John D Holliday; Caroline O'Dowd; Peter Willett
Effectiveness of 2D fingerprints for scaffold hopping.
Future medicinal chemistry 2011;3(4):405-14.
2011: John D Holliday; Evangelos Kanoulas; Nurul Malim; Peter Willett
Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision.
Journal of cheminformatics 2011;3(1):29.
2011: Peter Willett
Similarity searching using 2D structural fingerprints.
Methods in molecular biology (Clifton, N.J.) 2011;672():133-58.
2010: Rabab Al Jishi; Peter Willett
The Journal of Chemical Documentation and the Journal of Chemical Information and Computer Sciences: publication and citation statistics.
Journal of chemical information and modeling 2010;50(11):1915-23.
2010: George Papadatos; Muhammad Alkarouri; Valerie J Gillet; Peter Willett; Visakan Kadirkamanathan; Christopher N Luscombe; Gianpaolo Bravi; Nicola J Richmond; Stephen D Pickett; Jameed Hussain; John M Pritchard; Anthony W J Cooper; Simon J F Macdonald
Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity.
Journal of chemical information and modeling 2010;50(10):1872-86.
2010: Shereena M Arif; John D Holliday; Peter Willett
Inverse frequency weighting of fragments for similarity-based virtual screening.
Journal of chemical information and modeling 2010;50(8):1340-9.
2010: Ammar Abdo; Beining Chen; Christoph Mueller; Naomie Salim; Peter Willett
Ligand-based virtual screening using Bayesian networks.
Journal of chemical information and modeling 2010;50(6):1012-20.
2009: Shereena M Arif; John D Holliday; Peter Willett
Analysis and use of fragment-occurrence data in similarity-based virtual screening.
Journal of computer-aided molecular design 2009;23(9):655-68.
2009: Kristian Birchall; Valerie J Gillet; Peter Willett; Pierre Ducrot; Claude Luttmann
Use of reduced graphs to encode bioisosterism for similarity-based virtual screening.
Journal of chemical information and modeling 2009;49(6):1330-46.
2009: George Papadatos; Anthony W J Cooper; Visakan Kadirkamanathan; Simon J F Macdonald; Iain M McLay; Stephen D Pickett; John M Pritchard; Peter Willett; Valerie J Gillet
Analysis of neighborhood behavior in lead optimization and array design.
Journal of chemical information and modeling 2009;49(2):195-208.
2009: Chia-Wei Chu; John D Holliday; Peter Willett
Effect of data standardization on chemical clustering and similarity searching.
Journal of chemical information and modeling 2009;49(2):155-61.
2009: Beining Chen; Christoph Mueller; Peter Willett
Evaluation of a Bayesian inference network for ligand-based virtual screening.
Journal of cheminformatics 2009;1(1):5.
2009: Ravi Maheswaran; Cheryl Craigs; Simon Read; Peter A Bath; Peter Willett
A graph-theory method for pattern identification in geographical epidemiology--a preliminary application to deprivation and mortality.
International journal of health geographics 2009;8():28.
2008: Yogendra Patel; Valerie J Gillet; Trevor Howe; Joaquin Pastor; Julen Oyarzabal; Peter Willett
Assessment of additive/nonadditive effects in structure-activity relationships: implications for iterative drug design.
Journal of medicinal chemistry 2008;51(23):7552-62.
2007: Peter Willett
A bibliometric analysis of the Journal of Molecular Graphics and Modelling.
Journal of molecular graphics & modelling 2007;26(3):602-6.
2007: Peter Willett; David J Wilton; Basil Hartzoulakis; Raymond Tang; John Ford; David Madge
Prediction of ion channel activity using binary kernel discrimination.
Journal of chemical information and modeling 2007;47(5):1961-6.
2007: Eleanor J Gardiner; Valerie J Gillet; Peter Willett; David A Cosgrove
Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs.
Journal of chemical information and modeling 2007;47(2):354-66.
2007: Beining Chen; Robert F Harrison; George Papadatos; Peter Willett; David J Wood; Xiao Qing Lewell; Paulette Greenidge; Nikolaus Stiefl
Evaluation of machine-learning methods for ligand-based virtual screening.
Journal of computer-aided molecular design 2007;21(1-3):53-62.
2006: Peter Willett
Similarity-based virtual screening using 2D fingerprints.
Drug discovery today 2006;11(23-24):1046-53.
2006: Martin Whittle; Valerie J Gillet; Peter Willett; Jens Loesel
Analysis of data fusion methods in virtual screening: similarity and group fusion.
Journal of chemical information and modeling 2006;46(6):2206-19.
2006: Martin Whittle; Valerie J Gillet; Peter Willett; Jens Loesel
Analysis of data fusion methods in virtual screening: theoretical model.
Journal of chemical information and modeling 2006;46(6):2193-205.
2006: Nicola J Richmond; Charlene A Abrams; Philippa Wolohan; Edmond Abrahamian; Peter Willett; Robert D Clark
GALAHAD: 1. pharmacophore identification by hypermolecular alignment of ligands in 3D.
Journal of computer-aided molecular design 2006;20(9):567-87.
2006: Martin Bohl; Björn Loeprecht; Bernd Wendt; Trevor Heritage; Nicola J Richmond; Peter Willett
Unsupervised 3D ring template searching as an ideas generator for scaffold hopping: use of the LAMDA, RigFit, and field-based similarity search (FBSS) methods.
Journal of chemical information and modeling 2006;46(5):1882-90.
2006: Elizabeth A Kennewell; Peter Willett; Pierre Ducrot; Claude Luttmann
Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data.
Journal of computer-aided molecular design 2006;20(6):385-94.
2006: Eleanor J Gardiner; Linda Hirons; Christopher A Hunter; Peter Willett
Genomic data analysis using DNA structure: an analysis of conserved nongenic sequences and ultraconserved elements.
Journal of chemical information and modeling 2006;46(2):753-61.
2006: Linda Hirons; Eleanor J Gardiner; Christopher A Hunter; Peter Willett
Structural DNA profiles: single sequence queries.
Journal of chemical information and modeling 2006;46(2):743-52.
2006: Chido Mpamhanga; Beining Chen; Iain M McLay; Peter Willett
Knowledge-based interaction fingerprint scoring: a simple method for improving the effectiveness of fast scoring functions.
Journal of chemical information and modeling 2006;46(2):686-98.
2006: Nicholas Rhodes; David E Clark; Peter Willett
Similarity searching in databases of flexible 3D structures using autocorrelation vectors derived from smoothed bounded distance matrices.
Journal of chemical information and modeling 2006;46(2):615-9.
2006: Edward J Barker; David Buttar; David A Cosgrove; Eleanor J Gardiner; Paula Kitts; Peter Willett; Valerie J Gillet
Scaffold hopping using clique detection applied to reduced graphs.
Journal of chemical information and modeling 2006;46(2):503-11.
2006: Beining Chen; Robert F Harrison; Kitsuchart Pasupa; Peter Willett; David J Wilton; David J Wood; Xiao Qing Lewell
Virtual screening using binary kernel discrimination: effect of noisy training data and the optimization of performance.
Journal of chemical information and modeling 2006;46(2):478-86.
2006: David J Wilton; Robert F Harrison; Peter Willett; John Delaney; Kevin Lawson; Graham Mullier
Virtual screening using binary kernel discrimination: analysis of pesticide data.
Journal of chemical information and modeling 2006;46(2):471-7.
2006: Jerome Hert; Peter Willett; David J Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer
New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching.
Journal of chemical information and modeling 2006;46(2):462-70.
2005: Jerome Hert; Peter Willett; David J Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer
Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information.
Journal of medicinal chemistry 2005;48(22):7049-54.
2005: Peter A Bath; Cheryl Craigs; Ravi Maheswaran; John Raymond; Peter Willett
Use of graph theory to identify patterns of deprivation and high morbidity and mortality in public health data sets.
Journal of the American Medical Informatics Association : JAMIA 2005;12(6):630-41.
2005: Peter Willett
Searching techniques for databases of two- and three-dimensional chemical structures.
Journal of medicinal chemistry 2005;48(13):4183-99.
2005: Martin J Bayley; Eleanor J Gardiner; Peter Willett; Peter J Artymiuk
A fourier fingerprint-based method for protein surface representation.
Journal of chemical information and modeling 2005;45(3):696-707.
2004: Jerome Hert; Peter Willett; David J Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures.
Organic & biomolecular chemistry 2004;2(22):3256-66.
2004: Eleanor J Gardiner; Christopher A Hunter; Xiang-Jun Lu; Peter Willett
A structural similarity analysis of double-helical DNA.
Journal of molecular biology 2004;343(4):879-89.
2004: Nicola J Richmond; Peter Willett; Robert D Clark
Alignment of three-dimensional molecules using an image recognition algorithm.
Journal of molecular graphics & modelling 2004;23(2):199-209.
2004: Martin Whittle; Valerie J Gillet; Peter Willett; Alexander Alex; Jens Loesel
Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients.
Journal of chemical information and computer sciences 2004;44(5):1840-8.
2004: Jerome Hert; Peter Willett; David J Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer
Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures.
Journal of chemical information and computer sciences 2004;44(3):1177-85.
2004: John D Holliday; Sarah L Rodgers; Peter Willett; Min-You Chen; Mahdi Mahfouf; Kevin Lawson; Graham Mullier
Clustering files of chemical structures using the fuzzy k-means clustering method.
Journal of chemical information and computer sciences 2004;44(3):894-902.
2004: Peter Willett
Evaluation of molecular similarity and molecular diversity methods using biological activity data.
Methods in molecular biology (Clifton, N.J.) 2004;275():51-64.
2003: Eleanor J Gardiner; Christopher A Hunter; Martin J Packer; David S Palmer; Peter Willett
Sequence-dependent DNA structure: a database of octamer structural parameters.
Journal of molecular biology 2003;332(5):1025-35.
2003: Anne-Marie Harrison; Darren R South; Peter Willett; Peter J Artymiuk
Representation, searching and discovery of patterns of bases in complex RNA structures.
Journal of computer-aided molecular design 2003;17(8):537-49.
2003: Eleanor J Gardiner; Peter Willett; Peter J Artymiuk
GAPDOCK: a Genetic Algorithm Approach to Protein Docking in CAPRI round 1.
Proteins 2003;52(1):10-4.
2003: John W Raymond; Peter Willett
Similarity searching in databases of flexible 3D structures using smoothed bounded distance matrices.
Journal of chemical information and computer sciences 2003;43(3):908-16.
2003: John D Holliday; Naomie Salim; Martin Whittle; Peter Willett
Analysis and display of the size dependence of chemical similarity coefficients.
Journal of chemical information and computer sciences 2003;43(3):819-28.
2003: David J Wilton; Peter Willett; Kevin Lawson; Graham Mullier
Comparison of ranking methods for virtual screening in lead-discovery programs.
Journal of chemical information and computer sciences 2003;43(2):469-74.
2003: Martin Whittle; Peter Willett; Werner Klaffke; Paula van Noort
Evaluation of similarity measures for searching the dictionary of natural products database.
Journal of chemical information and computer sciences 2003;43(2):449-57.
2003: Nicholas Rhodes; Peter Willett; Alain Calvet; James B Dunbar; Christine Humblet
CLIP: similarity searching of 3D databases using clique detection.
Journal of chemical information and computer sciences 2003;43(2):443-8.
2003: Naomie Salim; John D Holliday; Peter Willett
Combination of fingerprint-based similarity coefficients using data fusion.
Journal of chemical information and computer sciences 2003;43(2):435-42.
2003: Ruth V Spriggs; Peter J Artymiuk; Peter Willett
Searching for patterns of amino acids in 3D protein structures.
Journal of chemical information and computer sciences 2003;43(2):412-21.
2003: John D Holliday; Stephen P Jelfs; Peter Willett; Peter Gedeck
Calculation of intersubstituent similarity using R-group descriptors.
Journal of chemical information and computer sciences 2003;43(2):406-11.
2003: Valerie J Gillet; Peter Willett; John Bradshaw
Similarity searching using reduced graphs.
Journal of chemical information and computer sciences 2003;43(2):338-45.
2003: John W Raymond; C John Blankley; Peter Willett
Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures.
Journal of molecular graphics & modelling 2003;21(5):421-33.
2003: Nathan Brown; Peter Willett; David J Wilton; Richard A Lewis
Generation and display of activity-weighted chemical hyperstructures.
Journal of chemical information and computer sciences 2003;43(1):288-97.
2003: R Gaizauskas; G Demetriou; Peter J Artymiuk; Peter Willett
Protein structures and information extraction from biological texts: the PASTA system.
Bioinformatics (Oxford, England) 2003;19(1):135-43.
2002: John W Raymond; Peter Willett
Maximum common subgraph isomorphism algorithms for the matching of chemical structures.
Journal of computer-aided molecular design 2002;16(7):521-33.
2002: Valerie J Gillet; Peter Willett; Peter J Fleming; Darren V S Green
Designing focused libraries using MoSELECT.
Journal of molecular graphics & modelling 2002;20(6):491-8.
2002: John D Holliday; C-Y Hu; Peter Willett
Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings.
Combinatorial chemistry & high throughput screening 2002;5(2):155-66.
2002: Valerie J Gillet; Wael Khatib; Peter Willett; Peter J Fleming; Darren V S Green
Combinatorial library design using a multiobjective genetic algorithm.
Journal of chemical information and computer sciences 2002;42(2):375-85.
2002: John W Raymond; Eleanor J Gardiner; Peter Willett
Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm.
Journal of chemical information and computer sciences 2002;42(2):305-16.
2002: John W Raymond; Peter Willett
Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases.
Journal of computer-aided molecular design 2002;16(1):59-71.
2001: P Watson; Peter Willett; Valerie J Gillet; Marcel L Verdonk
Calculating the knowledge-based similarity of functional groups using crystallographic data.
Journal of computer-aided molecular design 2001;15(9):835-57.
2001: Eleanor J Gardiner; Peter Willett; Peter J Artymiuk
Protein docking using a genetic algorithm.
Proteins 2001;44(1):44-56.
2001: Marcel L Verdonk; Jason C Cole; P Watson; Valerie J Gillet; Peter Willett
SuperStar: improved knowledge-based interaction fields for protein binding sites.
Journal of molecular biology 2001;307(3):841-59.
2001: N E Jewell; David Turner; Peter Willett; G J Sexton
Automatic generation of alignments for 3D QSAR analyses.
Journal of molecular graphics & modelling 2001;20(2):111-21.
2000: S J Edgar; John D Holliday; Peter Willett
Effectiveness of retrieval in similarity searches of chemical databases: a review of performance measures.
Journal of molecular graphics & modelling 2000;18(4-5):343-57.
2000: David Turner; Peter Willett
The EVA spectral descriptor.
European journal of medicinal chemistry 2000;35(4):367-75.
2000: David Turner; Peter Willett
Evaluation of the EVA descriptor for QSAR studies: 3. The use of a genetic algorithm to search for models with enhanced predictive properties (EVA_GA).
Journal of computer-aided molecular design 2000;14(1):1-21.
1999: Peter Willett
Dissimilarity-based algorithms for selecting structurally diverse sets of compounds.
Journal of computational biology : a journal of computational molecular cell biology 1999;6(3-4):447-57.
1999: David Turner; Peter Willett; AM Ferguson; Trevor Heritage
Evaluation of a novel molecular vibration-based descriptor (EVA) for QSAR studies: 2. Model validation using a benchmark steroid dataset.
Journal of computer-aided molecular design 1999;13(3):271-96.
1999: Martin J Bayley; Peter Willett
Binning schemes for partition-based compound selection.
Journal of molecular graphics & modelling 1999;17(1):10-8.
1998: Valerie J Gillet; Peter Willett; J Bradshaw
Identification of biological activity profiles using substructural analysis and genetic algorithms.
Journal of chemical information and computer sciences 1998;38(2):165-79.
1998: David A Cosgrove; Peter Willett
SLASH: a program for analysing the functional groups in molecules.
Journal of molecular graphics & modelling 1998;16(1):19-32.
1998: Martin J Bayley; G Jones; Peter Willett; Michael P Williamson
GENFOLD: a genetic algorithm for folding protein structures using NMR restraints.
Protein science : a publication of the Protein Society 1998;7(2):491-9.
1997: M Snarey; N K Terrett; Peter Willett; D J Wilton
Comparison of algorithms for dissimilarity-based compound selection.
Journal of molecular graphics & modelling 1997;15(6):372-85.
1997: A R Poirrette; Peter J Artymiuk; David Rice; Peter Willett
Comparison of protein surfaces using a genetic algorithm.
Journal of computer-aided molecular design 1997;11(6):557-69.
1997: I J Bruno; N M Kemp; Peter J Artymiuk; Peter Willett
Representation and searching of carbohydrate structures using graph-theoretic techniques.
Carbohydrate research 1997;304(1):61-7.
1997: E J Gardiner; Peter J Artymiuk; Peter Willett
Clique-detection algorithms for matching three-dimensional molecular structures.
Journal of molecular graphics & modelling 1997;15(4):245-53.
1997: John D Holliday; Peter Willett
Using a genetic algorithm to identify common structural features in sets of ligands.
Journal of molecular graphics & modelling 1997;15(4):221-32.
1997: David Turner; Peter Willett; AM Ferguson; Trevor Heritage
Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. 1. General application.
Journal of computer-aided molecular design 1997;11(4):409-22.
1997: G Jones; Peter Willett; R C Glen; Andrew R Leach; R Taylor
Development and validation of a genetic algorithm for flexible docking.
Journal of molecular biology 1997;267(3):727-48.
1997: D A Thorner; Peter Willett; P M Wright; Robin Taylor
Similarity searching in files of three-dimensional chemical structures: representation and searching of molecular electrostatic potentials using field-graphs.
Journal of computer-aided molecular design 1997;11(2):163-74.
1996: Peter J Artymiuk; A R Poirrette; David Rice; Peter Willett
Biotin carboxylase comes into the fold.
Nature structural biology 1996;3(2):128-32.
1995: G Jones; Peter Willett; R C Glen
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.
Journal of computer-aided molecular design 1995;9(6):532-49.
1995: Peter Willett
Genetic algorithms in molecular recognition and design.
Trends in biotechnology 1995;13(12):516-21.
1995: G Jones; Peter Willett
Docking small-molecule ligands into active sites.
Current opinion in biotechnology 1995;6(6):652-6.
1995: Peter Willett
Searching for pharmacophoric patterns in databases of three-dimensional chemical structures.
Journal of molecular recognition : JMR 1995;8(5):290-303.
1995: Peter J Artymiuk; David Rice; A R Poirrette; Peter Willett
beta-Glucosyltransferase and phosphorylase reveal their common theme.
Nature structural biology 1995;2(2):117-20.
1995: G Jones; Peter Willett; R C Glen
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation.
Journal of molecular biology 1995;245(1):43-53.
1994: Peter J Artymiuk; A R Poirrette; H M Grindley; David Rice; Peter Willett
A graph-theoretic approach to the identification of three-dimensional patterns of amino acid side-chains in protein structures.
Journal of molecular biology 1994;243(2):327-44.
1994: A R Poirrette; Peter J Artymiuk; H M Grindley; David Rice; Peter Willett
Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: implications for an alternative approach to rational drug design.
Protein science : a publication of the Protein Society 1994;3(7):1128-30.
1993: D E Clark; Peter Willett; Peter Kenny
Pharmacophoric pattern matching in files of three-dimensional chemical structures: implementation of flexible searching.
Journal of molecular graphics 1993;11(3):146-56.
1993: Peter J Artymiuk; H M Grindley; K Kumar; David Rice; Peter Willett
Three-dimensional structural resemblance between the ribonuclease H and connection domains of HIV reverse transcriptase and the ATPase fold revealed using graph theoretical techniques.
FEBS letters 1993;324(1):15-21.
1993: A R Poirrette; Peter Willett; F H Allen
Pharmacophoric pattern matching in files of three-dimensional chemical structures: characterization and use of generalized torsion angle screens.
Journal of molecular graphics 1993;11(1):2-14.
1993: H M Grindley; Peter J Artymiuk; David Rice; Peter Willett
Identification of tertiary structure resemblance in proteins using a maximal common subgraph isomorphism algorithm.
Journal of molecular biology 1993;229(3):707-21.
1992: D E Clark; Peter Willett; Peter Kenny
Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules.
Journal of molecular graphics 1992;10(4):194-204.
1992: Peter J Artymiuk; P A Bath; H M Grindley; C A Pepperrell; A R Poirrette; David Rice; D A Thorner; D J Wild; Peter Willett; F H Allen
Similarity searching in databases of three-dimensional molecules and macromolecules.
Journal of chemical information and computer sciences 1992;32(6):617-30.
1992: Peter J Artymiuk; H M Grindley; J E Park; David Rice; Peter Willett
Three-dimensional structural resemblance between leucine aminopeptidase and carboxypeptidase A revealed by graph-theoretical techniques.
FEBS letters 1992;303(1):48-52.
1991: A R Poirrette; Peter Willett; F H Allen
Pharmacophoric pattern matching in files of three-dimensional chemical structures: characterization and use of generalized valence angle screens.
Journal of molecular graphics 1991;9(4):203-17.
1991: C A Pepperrell; Peter Willett
Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances.
Journal of computer-aided molecular design 1991;5(5):455-74.
1991: D E Clark; Peter Willett; Peter Kenny
Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of smoothed bounded distances for incompletely specified query patterns.
Journal of molecular graphics 1991;9(3):157-60.
1990: Peter J Artymiuk; David Rice; E M Mitchell; Peter Willett
Structural resemblance between the families of bacterial signal-transduction proteins and of G proteins revealed by graph theoretical techniques.
Protein engineering 1990;4(1):39-43.
1990: E M Mitchell; Peter J Artymiuk; David Rice; Peter Willett
Use of techniques derived from graph theory to compare secondary structure motifs in proteins.
Journal of molecular biology 1990;212(1):151-66.
1989: M F Lynch; E M Rasmussen; Peter Willett; G A Manson; G A Wilson
Chemical databases processing using parallel computer hardware.
Biochemical Society transactions 1989;17(5):856-8.
1989: A T Brint; Peter Willett
Upperbound procedures for the identification of similar three-dimensional chemical structures.
Journal of computer-aided molecular design 1989;2(4):311-20.
1986: J R Walker; Peter Willett
Compression of nucleic acid and protein sequence data.
Computer applications in the biosciences : CABIOS 1986;2(2):89-93.