J. Moult

发表

Finding the lowest free energy conformation of a protein is an NP-hard problem: proof and implications.

R. Unger, J. Moult, 1993, Bulletin of mathematical biology.

An all-atom distance-dependent conditional probability discriminatory function for protein structure prediction.

R. Samudrala, J. Moult, 1998, Journal of molecular biology.

Critical assessment of methods of protein structure prediction (CASP): Round II

S. Bryant, T. Hubbard, K. Fidelis, 1997, Proteins.

Critical assessment of methods of protein structure prediction—Round VIII

B. Rost, A. Tramontano, K. Fidelis, 2009, Proteins.

Critical assessment of methods of protein structure prediction (CASP)—round IX

A. Tramontano, K. Fidelis, J. Moult, 2011, Proteins.

Critical assessment of methods of protein structure prediction (CASP)—Round 6

B. Rost, T. Hubbard, A. Tramontano, 2005, Proteins.

Comparison of database potentials and molecular mechanics force fields.

J Moult, J. Moult, 1997, Current opinion in structural biology.

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.

J. Moult, M. Braxenthaler, F. Avbelj, 1995, Journal of molecular biology.

Critical assessment of methods of protein structure prediction (CASP): Round III

T. Hubbard, K. Fidelis, J. Moult, 1999, Proteins.

Ab initio structure prediction for small polypeptides and protein fragments using genetic algorithms

J. Moult, J. Pedersen, John Moult, 1995, Proteins.

An algorithm for determining the conformation of polypeptide segments in proteins by systematic search

J. Moult, M. James, 1986, Proteins.

Biological function made crystal clear - annotation of hypothetical proteins via structural genomics.

J. Moult, D. Richardson, J. Orban, 2000, Current opinion in biotechnology.

SNPs, protein structure, and disease

J. Moult, Zhen Wang, 2001, Human mutation.

Critical assessment of methods of protein structure prediction: Progress and new directions in round XI

A. Tramontano, K. Fidelis, J. Moult, 2016, Proteins.

Critical assessment of methods of protein structure prediction (CASP): Round III

T. Hubbard, K. Fidelis, J. Moult, 1999 .

Critical assessment of methods of protein structure prediction (CASP)‐round V

T. Hubbard, A. Zemla, K. Fidelis, 2003, Proteins.

Critical assessment of methods of protein structure prediction (CASP)—Round 6

B. Rost, T. Hubbard, A. Tramontano, 2005 .

Proteopedia - a scientific 'wiki' bridging the rift between three-dimensional structure and function of biomacromolecules

Jaime Prilusky, Joel L Sussman, John Moult, 2008, Genome Biology.

Matching whole genomes to rare genetic disorders: Identification of potential causative variants using phenotype‐weighted knowledge in the CAGI SickKids5 clinical genomes challenge

Lipika R. Pal, J. Moult, Kunal Kundu, 2020, Human mutation.

Matching whole genomes to rare genetic disorders: Identification of potential causative variants using phenotype-weighted knowledge in the CAGI SickKids5 clinical genomes challenge

Lipika R. Pal, J. Moult, Kunal Kundu, 2019, bioRxiv.

Identification and analysis of deleterious human SNPs.

J. Moult, P. Yue, 2006, Journal of molecular biology.

Analysis of the steric strain in the polypeptide backbone of protein molecules

J Moult, J. Moult, O. Herzberg, 1991, Proteins.

The psychrophilic lifestyle as revealed by the genome sequence of Colwellia psychrerythraea 34H through genomic and proteomic analyses.

C. Fraser, J. Weidman, J. Moult, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Docking by least-squares fitting of molecular surface patterns.

J Moult, J. Moult, D. Bacon, 1992, Journal of molecular biology.

Mapping genetic variations to three-dimensional protein structures to enhance variant interpretation: a proposed framework

Julia Koehler Leman, Jose M. Duarte, David L. Masica, 2017 .

Comparison of systematic search and database methods for constructing segments of protein structure.

K. Fidelis, J. Moult, D. Bacon, 1994, Protein engineering.

Loss of protein structure stability as a major causative factor in monogenic disease.

J. Moult, P. Yue, Z. Li, 2005, Journal of molecular biology.

Structural and functional impact of cancer-related missense somatic mutations.

J. Moult, Zhen Shi, 2011, Journal of molecular biology.

Genetic Basis of Common Human Disease: Insight into the Role of Missense SNPs from Genome-Wide Association Studies.

Lipika R. Pal, J. Moult, 2015, Journal of molecular biology.

Chaos in protein dynamics

R. Unger, J. Moult, M. Braxenthaler, 1997, Proteins.

Critical assessment of methods of protein structure prediction (CASP)—Round XII

A. Tramontano, K. Fidelis, J. Moult, 2018, Proteins.

Determinants of side chain conformational preferences in protein structures.

R. Samudrala, J. Moult, Ram Samudrala, 1998, Protein engineering.

Molecular modeling of protein function regions

John Moult, Carol DeWeese-Scott, J. Moult, 2004, Proteins.

Protein family clustering for structural genomics.

John Moult, J. Moult, Yongpan Yan, 2005, Journal of molecular biology.

Critical assessment of methods of protein structure prediction (CASP)—Round XIII

Torsten Schwede, Krzysztof Fidelis, Andriy Kryshtafovych, 2019, Proteins.

Bacterial resistance to beta-lactam antibiotics: crystal structure of beta-lactamase from Staphylococcus aureus PC1 at 2.5 A resolution.

J Moult, J. Moult, O. Herzberg, 1987, Science.

pKa Shifts in Small Molecules and HIV Protease: Electrostatics and Conformation

Michael K. Gilson, Martha S. Head, John Moult, 1998 .

Electrostatics: Current Opinion in Structural Biology 1992, 2:223–229

J. Moult, 1992 .

Ab initio protein folding simulations with genetic algorithms: Simulations on the complete sequence of small proteins

J Moult, J T Pedersen, J. Moult, 1997, Proteins.

Comparative Modeling of Protein Structure—Progress and Prospects

John Moult, J. Moult, 1989, Journal of research of the National Institute of Standards and Technology.

CAGI4 SickKids clinical genomes challenge: A pipeline for identifying pathogenic variants

Lipika R. Pal, J. Moult, Kunal Kundu, 2017, Human mutation.

Evaluation of disorder predictions in CASP9

Anna Tramontano, Krzysztof Fidelis, Andriy Kryshtafovych, 2011, Proteins.

Assessment of patient clinical descriptions and pathogenic variants from gene panel sequences in the CAGI‐5 intellectual disability challenge

Silvio C. E. Tosatto, Stephen J. Wilson, Lipika R. Pal, 2019, Human mutation.

Performance of computational methods for the evaluation of pericentriolar material 1 missense variants in CAGI‐5

Olivier Lichtarge, Emidio Capriotti, Kivilcim Ozturk, 2019, Human mutation.

From fold to function.

J Moult, J. Moult, E. Melamud, 2000, Current opinion in structural biology.

Confronting the problem of interconnected structural changes in the comparative modeling of proteins

Ram Samudrala, Krzysztof Fidelis, John Moult, 1995, Proteins.

A unifold, mesofold, and superfold model of protein fold use

John Moult, J. Moult, A. Coulson, 2002, Proteins.

The current state of the art in protein structure prediction.

J Moult, J. Moult, 1996, Current opinion in biotechnology.

CAGI SickKids challenges: Assessment of phenotype and variant predictions derived from clinical and genomic data of children with undiagnosed diseases

Aashish N. Adhikari, Lipika R. Pal, J. Gough, 2019, Human mutation.

Determination of disease phenotypes and pathogenic variants from exome sequence data in the CAGI 4 gene panel challenge

Lipika R. Pal, J. Moult, Kunal Kundu, 2017, Human mutation.

Crystal structure of demetallized concanavalin A: the metal-binding region.

J. Moult, J. Sussman, A. Yonath, 1979, Journal of molecular biology.

Target highlights in CASP13: Experimental target structures through the eyes of their authors

K. Fidelis, G. Phillips, J. Moult, 2019, Proteins.

Ensemble variant interpretation methods to predict enzyme activity and assign pathogenicity in the CAGI4 NAGLU (Human N‐acetyl‐glucosaminidase) and UBE2I (Human SUMO‐ligase) challenges

Lipika R. Pal, J. Moult, Kunal Kundu, 2017, Human mutation.

Structural analysis of denaturant-protein interactions: Comparison between the effects of bromoethanol and SDS on denaturation and renaturation of triclinic lysozyme

B. Honig, J. Moult, A. Yonath, 1978, Biophysics of structure and mechanism.

Performance of in silico tools for the evaluation of p16INK4a (CDKN2A) variants in CAGI

Yuedong Yang, Olivier Lichtarge, Giovanni Minervini, 2017, Human mutation.

The structure of triclinic lysozyme at 2-5 A resolution.

J Moult, A Yonath, J. Moult, 1976, Journal of molecular biology.

Crystallographic studies of protein denaturation and renaturation. 1. Effects of denaturants on volume and X-ray pattern of cross-linked triclinic lysozyme crystals.

J. Moult, A. Yonath, W. Traub, 1977, Biochemistry.

Crystallographic studies of the active site of lysozyme. In: Molecular properties of drug receptors.

D. Phillips, C. Beddell, J. Moult, 1970, Ciba Foundation symposium.

Target highlights from the first post‐PSI CASP experiment (CASP12, May–August 2016)

M. Nardini, K. Fidelis, J. Moult, 2018, Proteins.

A large‐scale experiment to assess protein structure prediction methods

K Fidelis, J Moult, J T Pedersen, 1995, Proteins.

Characterizing and comparing missense variants in monogenic disease and in cancer

J. Moult, Yizhou Yin, 2019, bioRxiv.

Predicting venous thromboembolism risk from exomes in the Critical Assessment of Genome Interpretation (CAGI) challenges

Lipika R. Pal, R. Altman, S. Brenner, 2019, Human mutation.

Assessment of methods for predicting the effects of PTEN and TPMT protein variants

Lipika R. Pal, Yaoqi Zhou, P. Radivojac, 2019, Human mutation.

Binding of divalent copper ions to aspartic acid residue 52 in hen egg-white lysozyme.

J. Moult, A. Yonath, N. Sharon, 1974, Journal of molecular biology.

Matching phenotypes to whole genomes: Lessons learned from four iterations of the personal genome project community challenges

Silvio C. E. Tosatto, Hui Ting Grace Yeo, Madeleine P. Ball, 2017, Human mutation.

Working toward precision medicine: Predicting phenotypes from exomes in the Critical Assessment of Genome Interpretation (CAGI) challenges

Alexander A. Morgan, Yanay Ofran, Predrag Radivojac, 2017, Human mutation.

Outcome of a workshop on archiving structural models of biological macromolecules.

Roland L Dunbrack, Roland L. Dunbrack, Wah Chiu, 2006, Structure.

A system view and analysis of essential hypertension

R. Unger, J. Moult, E. Grossman, 2018, Journal of hypertension.

Neighbor Overlap Is Enriched in the Yeast Interaction Network: Analysis and Implications

R. Unger, J. Moult, Y. Ofran, 2012, PloS one.

An algorithm which predicts the conformation of short lengths of chain in proteins

J Moult, J. Moult, M. James, 1986 .

A bacteriophage endolysin that eliminates intracellular streptococci

J. Moult, D. Gallagher, M. Lösche, 2016, eLife.

Joint analysis of genome-wide genetic variants associated with gene expression and disease susceptibility

J. Moult, Chen-Hsin Yu, 2011, Genome Biology.

Antibody interfaces revealed through structural mining

Lipika R. Pal, J. Moult, G. Lazar, 2022, Computational and structural biotechnology journal.

Novel Antibody Interfaces Revealed Through Structural Mining

Lipika R. Pal, J. Moult, G. Lazar, 2022, bioRxiv.

Troponin-C mutants with increased calcium affinity.

J. Moult, O. Herzberg, F. Reinach, 1993, European journal of biochemistry.

Construction and characterization of a spectral probe mutant of troponin C: application to analyses of mutants with increased Ca2+ affinity.

J. Moult, O. Herzberg, C. Kay, 1992, Biochemistry.

Community-wide assessment of GPCR structure modeling and docking understanding

R. Stevens, J. S. Dixon, J. Moult, 2009 .

Assessment of progress over the CASP experiments

Ceslovas Venclovas, Krzysztof Fidelis, John Moult, 2003, Proteins.

The effect of binding of metal ions on the three‐dimensional structure of demetallized concanavalin A

J. Moult, J. Sussman, A. Yonath, 1978, FEBS letters.

Crystallographic Analysis of a Pepstatin Analogue Binding to the Aspartyl Proteinase Penicillopepsin at 1.8 Angstroms Resolution

John Moult, J. Moult, M. James, 1994 .

Penicillin-binding and degrading enzymes

J. Moult, O. Herzberg, 1991, Current Biology.

The crystal structure of beta-lactamase from Staphylococcus aureus at 0.5 nm resolution.

J. Moult, O. Herzberg, L. Sawyer, 1985, Biochemical Journal.

The identification by x-ray crystallography of the site of attachment of an affinity label to hen egg-white lysozyme.

J. Moult, N. Sharon, Y. Eshdat, 1973, Journal of molecular biology.

Local electrostatic optimization in proteins.

M. T. Oliva, J. Moult, 1999, Protein engineering.

CAPRI: A Critical Assessment of PRedicted Interactions

Sandor Vajda, Michael J E Sternberg, Joël Janin, 2003, Proteins.

Computer simulation of the solvent structure around biological macromolecules

J. Moult, A. Hagler, John Moult, 1978, Nature.

Conformation of the sebacyl β1Lys82–β2Lys82 crosslink in T‐state human hemoglobin

J. Moult, M. Braxenthaler, G. Gilliland, 1998 .

GWAS and drug targets

John Moult, J. Moult, Chen Cao, 2014, BMC Genomics.

Probing the calcium-induced conformational transition of troponin C with site-directed mutants

J. Moult, O. Herzberg, F. Reinach, 1990, Nature.

Molecular structure of troponin C and its implications for the Ca2+ triggering of muscle contraction.

J. Moult, M. James, O. Herzberg, 1987, Methods in enzymology.

A model for the Ca2+-induced conformational transition of troponin C. A trigger for muscle contraction.

J Moult, J. Moult, M. James, 1986, The Journal of biological chemistry.

Composition bias and the origin of ORFan genes

Ron Unger, Byungkook Lee, John Moult, 2010, Bioinform..

A decade of CASP: progress, bottlenecks and prognosis in protein structure prediction.

John Moult, J. Moult, 2005, Current opinion in structural biology.

Critical assessment of methods of protein structure prediction (CASP)‐round V

Adam Zemla, Krzysztof Fidelis, John Moult, 2005, Proteins.

A graph-theoretic algorithm for comparative modeling of protein structure.

R Samudrala, J Moult, R. Samudrala, 1998, Journal of molecular biology.

Stochastic noise in splicing machinery

John Moult, J. Moult, E. Melamud, 2009 .

Towards computing with proteins

John Moult, Ron Unger, R. Unger, 2006, Proteins.

Protein stability and in vivo concentration of missense mutations in phenylalanine hydroxylase

John Moult, J. Moult, Zhen Shi, 2012, Proteins.

A survey of proteins encoded by non-synonymous single nucleotide polymorphisms reveals a significant fraction with altered stability and activity.

Matthieu Schapira, Abdellah Allali-Hassani, John Moult, 2009, The Biochemical journal.

SNPs3D: Candidate gene and SNP selection for association studies

Peng Yue, John Moult, Eugene Melamud, 2006, BMC Bioinformatics.

Three‐dimensional structural location and molecular functional effects of missense SNPs in the T cell receptor Vβ domain

John Moult, J. Moult, Zhen Wang, 2003, Proteins.

Lessons from the CAGI‐4 Hopkins clinical panel challenge

Hugo Y. K. Lam, David T. Jones, Aashish N. Adhikari, 2017, Human mutation.

Mapping genetic variations to three-dimensional protein structures to enhance variant interpretation: a proposed framework

Elizabeth Brunk, Binghuang Cai, Yang Zhang, 2017, Genome Medicine.

CONFORMATIONAL FLEXIBILITY OF TROPONIN C11Supported by the Medical Research Council of Canada, an Alberta Heritage Foundation of Medical Research Fellowship (to O.H.) and an Alberta Heritage Foundation for Medical Research Visiting Scientist Fellowship (to J.M.).

J. Moult, M. James, O. Herzberg, 1987 .

MecCog: A knowledge representation framework for genetic disease mechanism

Lindley Darden, John Moult, Kunal Kundu, 2020, bioRxiv.

Critical assessment of methods of protein structure prediction (CASP)—Round XIV

K. Fidelis, J. Moult, Andriy Kryshtafovych, 2021, Proteins.

Target highlights in CASP14: Analysis of models by structure providers

K. Fidelis, J. Moult, J. Tainer, 2021, Proteins.

Consensus Genome-Wide Expression Quantitative Trait Loci and Their Relationship with Human Complex Trait Disease.

John Moult, Lipika R Pal, Lipika R. Pal, 2016, Omics : a journal of integrative biology.

Completeness in structural genomics

Chris Sander, Eugene Melamud, John Moult, 2001, Nature Structural Biology.

Genetic algorithms for protein structure prediction.

J Moult, J T Pedersen, J. Moult, 1996, Current opinion in structural biology.

Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment

Č. Venclovas, K. Fidelis, J. Moult, 2021, Proteins.

Insights from GWAS: emerging landscape of mechanisms underlying complex trait disease

Stephen M. Mount, Lipika R. Pal, J. Moult, 2015, BMC Genomics.

Assessment of predicted enzymatic activity of α‐N‐acetylglucosaminidase variants of unknown significance for CAGI 2016

Roland L. Dunbrack, Colby T. Ford, David T. Jones, 2019, Human mutation.

Assessing computational predictions of the phenotypic effect of cystathionine‐beta‐synthase variants

Silvio C. E. Tosatto, Predrag Radivojac, Mauno Vihinen, 2019, Human mutation.

Genetic basis of common human disease: insight into the role of nonsynonymous SNPs from genome-wide association studies

Lipika R. Pal, J. Moult, 2011, Genome Biology.

Computational models in the service of X‐ray and cryo‐electron microscopy structure determination

J. Moult, Andriy Kryshtafovych, A. Lupas, 2021, Proteins.

Outcome of a workshop on applications of protein models in biomedical research.

Roland L Dunbrack, Roland L. Dunbrack, Andrej Sali, 2009, Structure.

Finding the lowest free energy conformation of a protein is an NP-hard problem: Proof and implications

Ron Unger, John Moult, R. Unger, 1993 .

Structural implication of splicing stochastics

John Moult, J. Moult, E. Melamud, 2009 .

Insights from GWAS: emerging landscape of mechanisms underlying complex trait disease

Stephen M. Mount, John Moult, Lipika R Pal, 2015, BMC Genomics.

Positive and negative cooperativities at subsequent steps of oxygenation regulate the allosteric behavior of multistate sebacylhemoglobin.

J. H. Collins, R. Unger, J. Moult, 1996, Biochemistry.

Comparative modeling in structural genomics.

John Moult, J. Moult, 2008, Structure.

Target highlights in CASP9: Experimental target structures for the critical assessment of techniques for protein structure prediction

Mark J van Raaij, Liang Tong, Torsten Schwede, 2011, Proteins.

Iatrogenic hypertension: a bioinformatic analysis

R. Unger, J. Moult, E. Grossman, 2018, The Pharmacogenomics Journal.

Increasing the stability of the bacteriophage endolysin PlyC using rationale-based FoldX computational modeling.

J. Moult, Yizhou Yin, Ryan D. Heselpoth, 2015, Protein engineering, design & selection : PEDS.

Evaluation of disorder predictions in CASP5

John Moult, J. Moult, E. Melamud, 2003, Proteins.

FliD , the flagellar cap protein from Pseudomonas aeruginosa PAO 1 ( CASP : T 0886 , Ts 886 , PDB : 5 FHY ) : Provided by

M. Nardini, K. Fidelis, J. Moult, 2017 .

Detection of operons

John Moult, J. Moult, Yongpan Yan, 2006, Proteins.

CASP8 results in context of previous experiments

Krzysztof Fidelis, Andriy Kryshtafovych, John Moult, 2009, Proteins.

Critical assessment of methods of protein structure prediction—Round VII

Anna Tramontano, Krzysztof Fidelis, Andriy Kryshtafovych, 2007, Proteins.

Processing and analysis of CASP3 protein structure predictions

C Venclovas, A Zemla, K Fidelis, 1999, Proteins.

Electron density calculations as an extension of protein structure refinement. Streptomyces griseus protease A at 1.5 A resolution.

J Moult, F. Sussman, J. Moult, 1983, Journal of molecular biology.

Distance measurement and structure refinement with NOE data

J. Moult, B. Sykes, J. Baleja, 1990 .

Reply to HU et al.: On the interpretation of gasdermin-B expression quantitative trait loci data

Lipika R. Pal, J. Moult, O. Herzberg, 2017, Proceedings of the National Academy of Sciences.

CAGI4 Crohn's exome challenge: Marker SNP versus exome variant models for assigning risk of Crohn disease

Lipika R. Pal, J. Moult, Kunal Kundu, 2017, Human mutation.

Protein Characterization of a Candidate Mechanism SNP for Crohn's Disease: The Macrophage Stimulating Protein R689C Substitution

Lipika R. Pal, J. Moult, O. Herzberg, 2011, PloS one.

Molecular dynamics study of the structure and dynamics of a protein molecule in a crystalline ionic environment, Streptomyces griseus protease A.

J Moult, J. Moult, A. Hagler, 1990, Biochemistry.

CASP9 results compared to those of previous casp experiments

Krzysztof Fidelis, Andriy Kryshtafovych, John Moult, 2011, Proteins.

CASP10 results compared to those of previous CASP experiments

Krzysztof Fidelis, Andriy Kryshtafovych, John Moult, 2014, Proteins.

Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics.

Hualiang Jiang, Yechun Xu, J. Moult, 2008, Biophysical journal.

Determination of the conformation of folding initiation sites in proteins by computer simulation

J. Moult, F. Avbelj, 1995, Proteins.

An analysis of protein folding pathways.

J Moult, R. Unger, J. Moult, 1991, Biochemistry.

Progress from CASP6 to CASP7

Krzysztof Fidelis, Andriy Kryshtafovych, John Moult, 2007, Proteins.

Progress from CASP 6 to CASP 7

Krzysztof Fidelis, Andriy Kryshtafovych, John Moult, 2007 .

The crystal packing interactions of two different crystal forms of bovine Ribonuclease A

Alexander Wlodawer, Gary L. Gilliland, John Moult, 1991 .

Progress over the first decade of CASP experiments

Ceslovas Venclovas, Krzysztof Fidelis, Andriy Kryshtafovych, 2005, Proteins.

Critical assessment of methods of protein structure prediction (CASP) — round x

Anna Tramontano, Torsten Schwede, Krzysztof Fidelis, 2014, Proteins.

Comparison of performance in successive CASP experiments

C Venclovas, A Zemla, K Fidelis, 2001, Proteins.

Challenging the state of the art in protein structure prediction: Highlights of experimental target structures for the 10th Critical Assessment of Techniques for Protein Structure Prediction Experiment CASP10

Marco Biasini, Victor Seguritan, Forest Rohwer, 2014, Proteins.

Comparison of the chemical and thermal denaturation of proteins by a two-state transition model.

J. Moult, O. Herzberg, V. Doseeva, 2008, Analytical biochemistry.

Protein folding simulations with genetic algorithms and a detailed molecular description.

J Moult, J T Pedersen, J. Moult, 1997, Journal of molecular biology.

Calcium binding to skeletal muscle troponin C and the regulation of muscle contraction.

J. Moult, M. James, O. Herzberg, 2007, Ciba Foundation symposium.

Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008

Charles L. Brooks, Adrian W. R. Serohijos, John Moult, 2009, Nature Reviews Drug Discovery.

Monte carlo simulation of the solvent structure in crystals of a hydrated cyclic peptide

D. Osguthorpe, J. Moult, A. Hagler, 1980 .

Evaluation of template‐based models in CASP8 with standard measures

Burkhard Rost, Anna Tramontano, Domenico Cozzetto, 2009, Proteins.

Genetic algorithms for protein folding simulations.

R Unger, J Moult, R. Unger, 1992, Journal of molecular biology.

Harnessing formal concepts of biological mechanism to analyze human disease

Lindley Darden, John Moult, Kunal Kundu, 2018, bioRxiv.

Iatrogenic hypertension: a bioinformatic analysis

R. Unger, J. Moult, E. Grossman, 2018, The Pharmacogenomics Journal.

Genetic Algorithm for 3D Protein Folding Simulations

Ron Unger, Ron Unger, John Moult, 1993, ICGA.

Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin.

K. Fidelis, J. Moult, G. Gilliland, 1996, Biochemistry.

Electrostatics

John Moult, J. Moult, 1992, Current Biology.

Handling context‐sensitivity in protein structures using graph theory: Bona fide prediction

R Samudrala, J Moult, R. Samudrala, 1997, Proteins.

Some of the most interesting CASP11 targets through the eyes of their authors

Victor Seguritan, Thomas S. Peat, Forest Rohwer, 2015, Proteins.

Evaluation of the template‐based modeling in CASP12

Anna Tramontano, Torsten Schwede, Krzysztof Fidelis, 2018, Proteins.

Assessment of protein disorder region predictions in CASP10

Anna Tramontano, Krzysztof Fidelis, Andriy Kryshtafovych, 2014, Proteins.

Local interactions dominate folding in a simple protein model.

J Moult, R. Unger, J. Moult, 1996, Journal of molecular biology.

Comparative molecular model building of two serine proteinases from cytotoxic T lymphocytes

I. Weissman, J. Moult, M. James, 1990, Proteins.

Processing and evaluation of predictions in CASP4

Krzysztof Fidelis, John Moult, Adam Zemla, 2001, Proteins.

Computational models in the service of X-ray and cryo-EM structure determination

Andrei N. Lupas, Andriy Kryshtafovych, John Moult, 2021 .

New prediction categories in CASP15

K. Fidelis, J. Moult, Rhiju Das, 2023, Proteins.

Protein target highlights in CASP15: Analysis of models by structure providers

Peter L. Freddolino, Mitchell D. Miller, K. Fidelis, 2023, Proteins.

We need both computer models and experiments

David Baker, Daniel Fischer, John Moult, 2001, Nature.

Reports from the fifth edition of CAGI: The Critical Assessment of Genome Interpretation

Steven E Brenner, John Moult, Lipika R Pal, 2019, Human mutation.

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Tudor I. Oprea, Rommie E. Amaro, Yoshua Bengio, 2021, Nature Reviews Chemistry.

Role of electrostatic screening in determining protein main chain conformational preferences.

J Moult, J. Moult, F. Avbelj, 1995, Biochemistry.

Reports from CAGI: The Critical Assessment of Genome Interpretation

Steven E Brenner, Daniel Barsky, John Moult, 2017, Human mutation.

RNA target highlights in CASP15: Evaluation of predicted models by structure providers.

J. Moult, Rhiju Das, J. Wedekind, 2023, Proteins.

Low Frequency Motion in Proteins

David J. Osguthorpe, Pnina Dauber-Osguthorpe, John Moult, 1999 .

The Product Guides the Process: Discovering Disease Mechanisms

Lindley Darden, John Moult, Kunal Kundu, 2018 .

Stochastic noise in splicing machinery

J. Moult, E. Melamud, 2009, Nucleic acids research.

Human Mutation

Guillermo del Angel, Lipika R. Pal, P. Radivojac, 2019 .

Genetic basis of common human disease: insight into the role of nonsynonymous SNPs from genome-wide association studies

Lipika R. Pal, J. Moult, 2011, Genome Biology.

Genetic Basis of Common Human Disease: Insight into the Role of Missense SNPs from Genome-Wide Association Studies.

Lipika R. Pal, J. Moult, 2015, Journal of molecular biology.

SNPs3D: Candidate gene and SNP selection for association studies

J. Moult, P. Yue, E. Melamud, 2006, BMC Bioinform..

On achieving better than 1-A accuracy in a simulation of a large protein: Streptomyces griseus protease A.

D. Nguyen, J. Moult, A. Hagler, 1993, Proceedings of the National Academy of Sciences of the United States of America.

Electrostatics

J. Moult, 1992, Current Biology.

Mapping genetic variations to three-dimensional protein structures to enhance variant interpretation: a proposed framework

Jose M. Duarte, Sheila M. Reynolds, G. Barton, 2017, Genome Medicine.

Predicting protein three-dimensional structure.

J Moult, J. Moult, 1999, Current opinion in biotechnology.

Critical assessment of methods of protein structure prediction: Progress and new directions in round XI

A. Tramontano, K. Fidelis, J. Moult, 2016, Proteins.

Automated Function Prediction Featuring a Critical Assessment of Function Annotations

M. Tress, S. Kasif, Guy Nimrod, 2011 .

Evaluation of the template‐based modeling in CASP12

A. Tramontano, K. Fidelis, J. Moult, 2018, Proteins.

Critical assessment of methods of protein structure prediction—Round VIII

B. Rost, A. Tramontano, K. Fidelis, 2009, Proteins.

Evaluation of template‐based models in CASP8 with standard measures

B. Rost, D. Cozzetto, A. Tramontano, 2009, Proteins.

Critical assessment of methods of protein structure prediction (CASP): Round II

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