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John Moult

Research Profile

Concepts & Ideas

Chemicals & Drugs

Physiology

Protein Folding

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Genes & Molecular Sequences

Amino Acid Sequences

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Computer Simulation

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Publications

TOP 3
Ariel Feiglin; Byungkook Lee; John Moult; Yanay Ofran; Ron Unger
Neighbor overlap is enriched in the yeast interaction network: analysis and implications.
Andriy Kryshtafovych; Andreas Lingel; Karolina Michalska; Gaetano T Montelione; John Moult; José M Otero; Anastassis Perraks; Juan C Pizarro; Theresa A Ramelot; Francois Rousseau; Sergio G Bartual; J Fernando Bazan; Helen Berman; Darren E Casteel; Evangelos Christodoulou; John K Everett; Jens Hausmann; Tatjana Heidebrecht; Tanya Hills; Raymond Hui; John F Hunt; Andrzej Joachimiak; Michael A Kennedy; Choel Kim; Jayaraman Seetharaman; Liang Tong; Mark J van Raaij; Amy K Wernimont; Jasmine Young; Torsten Schwede
Target highlights in CASP9: Experimental target structures for the critical assessment of techniques for protein structure prediction.
Andriy Kryshtafovych; Krzysztof Fidelis; John Moult
CASP9 results compared to those of previous CASP experiments.

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All Publications

2012: Ariel Feiglin; Byungkook Lee; John Moult; Yanay Ofran; Ron Unger
Neighbor overlap is enriched in the yeast interaction network: analysis and implications.
PloS one 2012;7(6):e39662.
2011: Andriy Kryshtafovych; Andreas Lingel; Karolina Michalska; Gaetano T Montelione; John Moult; José M Otero; Anastassis Perraks; Juan C Pizarro; Theresa A Ramelot; Francois Rousseau; Sergio G Bartual; J Fernando Bazan; Helen Berman; Darren E Casteel; Evangelos Christodoulou; John K Everett; Jens Hausmann; Tatjana Heidebrecht; Tanya Hills; Raymond Hui; John F Hunt; Andrzej Joachimiak; Michael A Kennedy; Choel Kim; Jayaraman Seetharaman; Liang Tong; Mark J van Raaij; Amy K Wernimont; Jasmine Young; Torsten Schwede
Target highlights in CASP9: Experimental target structures for the critical assessment of techniques for protein structure prediction.
Proteins 2011;79 Suppl 10():6-20.
2011: Andriy Kryshtafovych; Krzysztof Fidelis; John Moult
CASP9 results compared to those of previous CASP experiments.
Proteins 2011;79 Suppl 10():196-207.
2011: Bohdan Monastyrskyy; John Moult; Anna Tramontano; Krzysztof Fidelis; Andriy Kryshtafovych
Evaluation of disorder predictions in CASP9.
Proteins 2011;79 Suppl 10():107-18.
2010: Inbal Yomtovian; Nuttinee Teerakulkittipong; Byungkook Lee; John Moult; Ron Unger
Composition bias and the origin of ORFan genes.
Bioinformatics (Oxford, England) 2010;26(8):996-9.
2010: Kap Lim; Sadhana Pullalarevu; Karen Talin Surabian; Andrew Howard; Tomohiko Suzuki; John Moult; Osnat Herzberg
Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry 2010;49(9):2031-41.
2009: Eugene Melamud; John Moult
Stochastic noise in splicing machinery.
Nucleic acids research 2009;37(14):4873-86.
2009: Eugene Melamud; John Moult
Structural implication of splicing stochastics.
Nucleic acids research 2009;37(14):4862-72.
2009: John Moult; Krzysztof Fidelis; Andriy Kryshtafovych; Burkhard Rost; Anna Tramontano
Critical assessment of methods of protein structure prediction - Round VIII.
Proteins 2009;77 Suppl 9():1-4.
2009: Domenico Cozzetto; Andriy Kryshtafovych; Krzysztof Fidelis; John Moult; Burkhard Rost; Anna Tramontano
Evaluation of template-based models in CASP8 with standard measures.
Proteins 2009;77 Suppl 9():18-28.
2009: Andriy Kryshtafovych; Krzysztof Fidelis; John Moult
CASP8 results in context of previous experiments.
Proteins 2009;77 Suppl 9():217-28.
2008: Yechun Xu; Jacques-Philippe Colletier; Martin Weik; Hualiang Jiang; John Moult; Israel Silman; Joel Sussman
Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics.
Biophysical journal 2008;95(5):2500-11.
2008: J Ramprakash; Victoria Doseeva; Andrey Galkin; Wojciech Krajewski; L Muthukumar; Sadhana Pullalarevu; E Demirkan; Osnat Herzberg; John Moult; Frederick P Schwarz
Comparison of the chemical and thermal denaturation of proteins by a two-state transition model.
Analytical biochemistry 2008;374(1):221-30.
2008: Eran Hodis; Jaime Prilusky; Eric Martz; Israel Silman; John Moult; Joel Sussman
Proteopedia - a scientific 'wiki' bridging the rift between three-dimensional structure and function of biomacromolecules.
Genome biology 2008;9(8):R121.
2008: John Moult
Comparative modeling in structural genomics.
Structure (London, England : 1993) 2008;16(1):14-6.
2007: John Moult; Krzysztof Fidelis; Andriy Kryshtafovych; Burkhard Rost; Tim Hubbard; Anna Tramontano
Critical assessment of methods of protein structure prediction-Round VII.
Proteins 2007;69 Suppl 8():3-9.
2007: Andriy Kryshtafovych; Krzysztof Fidelis; John Moult
Progress from CASP6 to CASP7.
Proteins 2007;69 Suppl 8():194-207.
2006: Yongpan Yan; John Moult
Detection of operons.
Proteins 2006;64(3):615-28.
2006: Helen M Berman; Stephen K Burley; Wah Chiu; Andrej Sali; Alexei A Adzhubei; Philip Bourne; Stephen H Bryant; Roland L Dunbrack; Krzysztof Fidelis; Joachim Frank; Adam Godzik; Kim Henrick; Andrzej Joachimiak; Bernard Heymann; David Jones; John Lute Markley; John Moult; Gaetano T Montelione; Christine Orengo; Michael G Rossmann; Burkhard Rost; Helen R Saibil; Torsten Schwede; Daron M Standley; John D Westbrook
Outcome of a workshop on archiving structural models of biological macromolecules.
Structure (London, England : 1993) 2006;14(8):1211-7.
2006: Ron Unger; John Moult
Towards computing with proteins.
Proteins 2006;63(1):53-64.
2006: John Moult
Rigorous performance evaluation in protein structure modelling and implications for computational biology.
Philosophical transactions of the Royal Society of London. Series B, Biological sciences 2006;361(1467):453-8.
2006: Peng Yue; John Moult
Identification and analysis of deleterious human SNPs.
Journal of molecular biology 2006;356(5):1263-74.
2006: Peng Yue; Eugene Melamud; John Moult
SNPs3D: candidate gene and SNP selection for association studies.
BMC bioinformatics 2006;7():166.
2005: Yongpan Yan; John Moult
Protein family clustering for structural genomics.
Journal of molecular biology 2005;353(3):744-59.
2005: Peng Yue; Zhaolong Li; John Moult
Loss of protein structure stability as a major causative factor in monogenic disease.
Journal of molecular biology 2005;353(2):459-73.
2005: Barbara A Methé; Karen E Nelson; Jody W Deming; Bahram Momen; Eugene Melamud; Xijun Zhang; John Moult; Ramana Madupu; William C Nelson; Robert J Dodson; Lauren M Brinkac; Sean C Daugherty; A Scott Durkin; Robert T Deboy; James F Kolonay; Steven A Sullivan; Liwei Zhou; Tanja M Davidsen; Martin Wu; Adrienne L Huston; Matthew Lewis; Bruce Weaver; Janice Weidman; Hoda Khouri; Teresa Utterback; Tamara Feldblyum; Claire M Fraser-Liggett
The psychrophilic lifestyle as revealed by the genome sequence of Colwellia psychrerythraea 34H through genomic and proteomic analyses.
Proceedings of the National Academy of Sciences of the United States of America 2005;102(31):10913-8.
2005: John Moult
A decade of CASP: progress, bottlenecks and prognosis in protein structure prediction.
Current opinion in structural biology 2005;15(3):285-9.
2005: Andriy Kryshtafovych; Ceslovas Venclovas; Krzysztof Fidelis; John Moult
Progress over the first decade of CASP experiments.
Proteins 2005;61 Suppl 7():225-36.
2005: John Moult; Krzysztof Fidelis; Burkhard Rost; Tim Hubbard; Anna Tramontano
Critical assessment of methods of protein structure prediction (CASP)--round 6.
Proteins 2005;61 Suppl 7():3-7.
2004: Carol DeWeese-Scott; John Moult
Molecular modeling of protein function regions.
Proteins 2004;55(4):942-61.
2003: Zhen Wang; John Moult
Three-dimensional structural location and molecular functional effects of missense SNPs in the T cell receptor Vbeta domain.
Proteins 2003;53(3):748-57.
2003: Joël Janin; Kim Henrick; John Moult; Lynn Ten Eyck; Michael J E Sternberg; Sandor Vajda; Ilva Vakser; Shoshana J Wodak
CAPRI: a Critical Assessment of PRedicted Interactions.
Proteins 2003;52(1):2-9.
2003: Ceslovas Venclovas; Adam Zemla; Krzysztof Fidelis; John Moult
Assessment of progress over the CASP experiments.
Proteins 2003;53 Suppl 6():585-95.
2003: Eugene Melamud; John Moult
Evaluation of disorder predictions in CASP5.
Proteins 2003;53 Suppl 6():561-5.
2003: John Moult; Krzysztof Fidelis; Adam Zemla; Tim Hubbard
Critical assessment of methods of protein structure prediction (CASP)-round V.
Proteins 2003;53 Suppl 6():334-9.
2002: Gary L Gilliland; Alexey Teplyakov; Galina Obmolova; Maria Tordova; Narmada Thanki; Jane E Ladner; Osnat Herzberg; Kap Lim; Hong Zhang; Kui Huang; Zhong Li; Aleksandra Tempczyk; Wojciech Krajewski; Lisa Parsons; Deok Cheon Yeh; John Orban; Andrew J Howard; Edward Eisenstein; James F Parsons; Nicklas Bonander; Kathryn E Fisher; John Toedt; Prasad Reddy; C V Rao; Eugene Melamud; John Moult
Assisting functional assignment for hypothetical Heamophilus influenzae gene products through structural genomics.
Current drug targets. Infectious disorders 2002;2(4):339-53.
2002: John Moult; Krzysztof Fidelis; Adam Zemla; Tim Hubbard; Anna Tramontano
The significance of performance ranking in CASP--response to Marti-Renom et al.
Structure (London, England : 1993) 2002;10(3):291-2; discussion 292-3.
2002: Andrew F W Coulson; John Moult
A unifold, mesofold, and superfold model of protein fold use.
Proteins 2002;46(1):61-71.
2001: Dennis Vitkup; Eugene Melamud; John Moult; Chris Sander
Completeness in structural genomics.
Nature structural biology 2001;8(6):559-66.
2001: Z Wang; John Moult
SNPs, protein structure, and disease.
Human mutation 2001;17(4):263-70.
2001: D Fischer; D Baker; John Moult
We need both computer models and experiments.
Nature 2001;409(6820):558.
2001: Ceslovas Venclovas; Adam Zemla; Krzysztof Fidelis; John Moult
Comparison of performance in successive CASP experiments.
Proteins 2001;Suppl 5():163-70.
2001: Adam Zemla; John Moult; Krzysztof Fidelis
Processing and evaluation of predictions in CASP4.
Proteins 2001;Suppl 5():13-21.
2001: John Moult; Krzysztof Fidelis; Adam Zemla; Tim Hubbard
Critical assessment of methods of protein structure prediction (CASP): round IV.
Proteins 2001;Suppl 5():2-7.
2000: John Moult; Eugene Melamud
From fold to function.
Current opinion in structural biology 2000;10(3):384-9.
2000: Edward Eisenstein; Gary L Gilliland; Osnat Herzberg; John Moult; John Orban; Roberto Poljak; L Banerjei; D Richardson; Andrew J Howard
Biological function made crystal clear - annotation of hypothetical proteins via structural genomics.
Current opinion in biotechnology 2000;11(1):25-30.
1999: John Moult
Predicting protein three-dimensional structure.
Current opinion in biotechnology 1999;10(6):583-8.
1999: M T Oliva; John Moult
Local electrostatic optimization in proteins.
Protein engineering 1999;12(9):727-35.
1999: Ceslovas Venclovas; Adam Zemla; Krzysztof Fidelis; John Moult
Some measures of comparative performance in the three CASPs.
Proteins 1999;Suppl 3():231-7.
1999: Adam Zemla; Ceslovas Venclovas; John Moult; Krzysztof Fidelis
Processing and analysis of CASP3 protein structure predictions.
Proteins 1999;Suppl 3():22-9.
1999: John Moult; Tim Hubbard; Krzysztof Fidelis; Jan Torleif Pedersen
Critical assessment of methods of protein structure prediction (CASP): round III.
Proteins 1999;Suppl 3():2-6.
1998: R Samudrala; John Moult
Determinants of side chain conformational preferences in protein structures.
Protein engineering 1998;11(11):991-7.
1998: R Samudrala; John Moult
A graph-theoretic algorithm for comparative modeling of protein structure.
Journal of molecular biology 1998;279(1):287-302.
1998: X Ji; M Braxenthaler; John Moult; Clara Fronticelli; Enrico Bucci; Gary L Gilliland
Conformation of the sebacyl beta1Lys82-beta2Lys82 crosslink in T-state human hemoglobin.
Proteins 1998;30(3):309-20.
1998: R Samudrala; John Moult
An all-atom distance-dependent conditional probability discriminatory function for protein structure prediction.
Journal of molecular biology 1998;275(5):895-916.
1997: M Braxenthaler; Ron Unger; D Auerbach; JA Given; John Moult
Chaos in protein dynamics.
Proteins 1997;29(4):417-25.
1997: Jan Torleif Pedersen; John Moult
Protein folding simulations with genetic algorithms and a detailed molecular description.
Journal of molecular biology 1997;269(2):240-59.
1997: John Moult
Comparison of database potentials and molecular mechanics force fields.
Current opinion in structural biology 1997;7(2):194-9.
1997: Jan Torleif Pedersen; John Moult
Ab initio protein folding simulations with genetic algorithms: simulations on the complete sequence of small proteins.
Proteins 1997;Suppl 1():179-84.
1997: R Samudrala; John Moult
Handling context-sensitivity in protein structures using graph theory: bona fide prediction.
Proteins 1997;Suppl 1():43-9.
1997: Ceslovas Venclovas; Adam Zemla; Krzysztof Fidelis; John Moult
Criteria for evaluating protein structures derived from comparative modeling.
Proteins 1997;Suppl 1():7-13.
1997: John Moult; Tim Hubbard; S H Bryant; Krzysztof Fidelis; Jan Torleif Pedersen
Critical assessment of methods of protein structure prediction (CASP): round II.
Proteins 1997;Suppl 1():2-6.
1996: L E Zawadzke; Celia C H Chen; S Banerjee; Z Li; S Wäsch; Geeta Kapadia; John Moult; Osnat Herzberg
Elimination of the hydrolytic water molecule in a class A beta-lactamase mutant: crystal structure and kinetics.
Biochemistry 1996;35(51):16475-82.
1996: John Moult
The current state of the art in protein structure prediction.
Current opinion in biotechnology 1996;7(4):422-7.
1996: Ron Unger; John Moult
Local interactions dominate folding in a simple protein model.
Journal of molecular biology 1996;259(5):988-94.
1996: Jan Torleif Pedersen; John Moult
Genetic algorithms for protein structure prediction.
Current opinion in structural biology 1996;6(2):227-31.
1996: Enrico Bucci; A Razynska; Herman Kwansa; Zygmunt Gryczynski; J H Collins; Clara Fronticelli; Ron Unger; M Braxenthaler; John Moult; X Ji; Gary L Gilliland
Positive and negative cooperativities at subsequent steps of oxygenation regulate the allosteric behavior of multistate sebacylhemoglobin.
Biochemistry 1996;35(11):3418-25.
1996: I Pechik; X Ji; Krzysztof Fidelis; Michael Karavitis; John Moult; William S Brinigar; Clara Fronticelli; Gary L Gilliland
Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin.
Biochemistry 1996;35(6):1935-45.
1995: Jan Torleif Pedersen; John Moult
Ab initio structure prediction for small polypeptides and protein fragments using genetic algorithms.
Proteins 1995;23(3):454-60.
1995: R Samudrala; Jan Torleif Pedersen; H B Zhou; Ray Luo; Krzysztof Fidelis; John Moult
Confronting the problem of interconnected structural changes in the comparative modeling of proteins.
Proteins 1995;23(3):327-36.
1995: John Moult; Jan Torleif Pedersen; R Judson; Krzysztof Fidelis
A large-scale experiment to assess protein structure prediction methods.
Proteins 1995;23(3):ii-v.
1995: F Avbelj; John Moult
Determination of the conformation of folding initiation sites in proteins by computer simulation.
Proteins 1995;23(2):129-41.
1995: M Braxenthaler; F Avbelj; John Moult
Structure, dynamics and energetics of initiation sites in protein folding: I. Analysis of a 1 ns molecular dynamics trajectory of an early folding unit in water: the helix I/loop I-fragment of barnase.
Journal of molecular biology 1995;250(2):239-57.
1995: F Avbelj; John Moult
Role of electrostatic screening in determining protein main chain conformational preferences.
Biochemistry 1995;34(3):755-64.
1994: Krzysztof Fidelis; P S Stern; D Bacon; John Moult
Comparison of systematic search and database methods for constructing segments of protein structure.
Protein engineering 1994;7(8):953-60.
1993: Ron Unger; John Moult
Finding the lowest free energy conformation of a protein is an NP-hard problem: proof and implications.
Bulletin of mathematical biology 1993;55(6):1183-98.
1993: D H Kitson; F Avbelj; John Moult; D T Nguyen; J E Mertz; D Hadzi; A T Hagler
On achieving better than 1-A accuracy in a simulation of a large protein: Streptomyces griseus protease A.
Proceedings of the National Academy of Sciences of the United States of America 1993;90(19):8920-4.
1993: Ron Unger; John Moult
Genetic algorithms for protein folding simulations.
Journal of molecular biology 1993;231(1):75-81.
1993: A C da Silva; A H de Araujo; Osnat Herzberg; John Moult; Martha M Sorenson; Fernando C Reinach
Troponin-C mutants with increased calcium affinity.
European journal of biochemistry / FEBS 1993;213(1):599-604.
1992: Joyce R Pearlstone; T Borgford; Murali Chandra; K Oikawa; Cyril M Kay; Osnat Herzberg; John Moult; A Herklotz; Fernando C Reinach; Lawrence B Smillie
Construction and characterization of a spectral probe mutant of troponin C: application to analyses of mutants with increased Ca2+ affinity.
Biochemistry 1992;31(28):6545-53.
1992: D J Bacon; John Moult
Docking by least-squares fitting of molecular surface patterns.
Journal of molecular biology 1992;225(3):849-58.
1991: John Moult; Ron Unger
An analysis of protein folding pathways.
Biochemistry 1991;30(16):3816-24.
1991: Osnat Herzberg; John Moult
Analysis of the steric strain in the polypeptide backbone of protein molecules.
Proteins 1991;11(3):223-9.
1990: F Avbelj; John Moult; D H Kitson; M N James; A T Hagler
Molecular dynamics study of the structure and dynamics of a protein molecule in a crystalline ionic environment, Streptomyces griseus protease A.
Biochemistry 1990;29(37):8658-76.
1990: K Fujimori; Martha M Sorenson; Osnat Herzberg; John Moult; Fernando C Reinach
Probing the calcium-induced conformational transition of troponin C with site-directed mutants.
Nature 1990;345(6271):182-4.
1988: M E Murphy; John Moult; R Chris Bleackley; H Gershenfeld; I L Weissman; Michael N G James
Comparative molecular model building of two serine proteinases from cytotoxic T lymphocytes.
Proteins 1988;4(3):190-204.
1987: Osnat Herzberg; John Moult
Bacterial resistance to beta-lactam antibiotics: crystal structure of beta-lactamase from Staphylococcus aureus PC1 at 2.5 A resolution.
Science (New York, N.Y.) 1987;236(4802):694-701.
1987: Osnat Herzberg; John Moult; M N James
Molecular structure of troponin C and its implications for the Ca2+ triggering of muscle contraction.
Methods in enzymology 1987;139():610-32.
1986: John Moult; Michael N G James
An algorithm for determining the conformation of polypeptide segments in proteins by systematic search.
Proteins 1986;1(2):146-63.
1986: Osnat Herzberg; John Moult; M N James
A model for the Ca2+-induced conformational transition of troponin C. A trigger for muscle contraction.
The Journal of biological chemistry 1986;261(6):2638-44.
1986: Osnat Herzberg; John Moult; M N James
Calcium binding to skeletal muscle troponin C and the regulation of muscle contraction.
Ciba Foundation symposium 1986;122():120-44.
1985: John Moult; F Sussman; M N James
Electron density calculations as an extension of protein structure refinement. Streptomyces griseus protease A at 1.5 A resolution.
Journal of molecular biology 1985;182(4):555-66.
1985: John Moult; L Sawyer; Osnat Herzberg; C L Jones; A F Coulson; D W Green; M M Harding; R P Ambler
The crystal structure of beta-lactamase from Staphylococcus aureus at 0.5 nm resolution.
The Biochemical journal 1985;225(1):167-76.
1979: M Shoham; A Yonath; Joel Sussman; John Moult; W Traub; A J Kalb
Crystal structure of demetallized concanavalin A: the metal-binding region.
Journal of molecular biology 1979;131(2):137-55.
1978: M Shoham; Joel Sussman; A Yonath; John Moult; W Traub; A J Kalb(Gilboa)
The effect of binding of metal ions on the three-dimensional structure of demetallized concanavalin A.
FEBS letters 1978;95(1):54-6.
1978: A T Hagler; John Moult
Computer simulation of the solvent structure around biological macromolecules.
Nature 1978;272(5650):222-6.
1977: A Yonath; alberto podjarny; B Honig; W Traub; A Sielecki; Osnat Herzberg; John Moult
Structural analysis of denaturant-protein interactions: comparison between the effects of bromoethanol and SDS on denaturation and renaturation of triclinic lysozyme.
Biophysics of structure and mechanism 1977;4(1):27-36.
1977: A Yonath; A Sielecki; John Moult; alberto podjarny; W Traub
Crystallographic studies of protein denaturation and renaturation. 1. Effects of denaturants on volume and X-ray pattern of cross-linked triclinic lysozyme crystals.
Biochemistry 1977;16(7):1413-7.
1976: John Moult; A Yonath; W Traub; A Smilansky; alberto podjarny; D Rabinovich; A Saya
The structure of triclinic lysozyme at 2-5 A resolution.
Journal of molecular biology 1976;100(2):179-95.
1974: V I Teichberg; N Sharon; John Moult; A Smilansky; A Yonath
Binding of divalent copper ions to aspartic acid residue 52 in hen egg-white lysozyme.
Journal of molecular biology 1974;87(2):357-68.