D. Ascher

发表

Flexibility and small pockets at protein e protein interfaces: New insights into druggability Progress in Biophysics and Molecular Biology

T. Blundell, H. Jubb, D. Ascher, 2022 .

Arpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein Structures

Alicia P. Higueruelo, T. Blundell, W. Pitt, 2017, Journal of molecular biology.

mCSM-PPI2: predicting the effects of mutations on protein–protein interactions

Carlos H. M. Rodrigues, D. Ascher, D. Pires, 2019, Nucleic Acids Res..

Flexibility and small pockets at protein–protein interfaces: New insights into druggability

Tom L. Blundell, David B. Ascher, Harry Jubb, 2015, Progress in biophysics and molecular biology.

ProCarbDB: a database of carbohydrate-binding proteins

T. Blundell, S. Malhotra, D. Ascher, 2019, Nucleic Acids Res..

mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher, 2016, Scientific Reports.

Germline Mutations in the CDKN2B Tumor Suppressor Gene Predispose to Renal Cell Carcinoma.

Douglas E. V. Pires, Richard C Trembath, Alan Donaldson, 2015, Cancer discovery.

Evolution of carbapenem resistance in Acinetobacter baumannii during a prolonged infection

David B. Ascher, Ryan R. Wick, Louise M. Judd, 2017, bioRxiv.

Evolution of carbapenem resistance in Acinetobacter baumannii during a prolonged infection

K. Holt, D. Ascher, J. Hawkey, 2017, bioRxiv.

Widespread remodelling of proteome solubility in response to different protein homeostasis stresses

Douglas E. V. Pires, M. Vendruscolo, G. Reid, 2019, bioRxiv.

mCSM-membrane: predicting the effects of mutations on transmembrane proteins

Carlos H. M. Rodrigues, D. Ascher, D. Pires, 2020, Nucleic Acids Res..

Genomes, structural biology and drug discovery: combating the impacts of mutations in genetic disease and antibiotic resistance

Tom L. Blundell, David B. Ascher, Arun Prasad Pandurangan, 2017, Biochemical Society transactions.

Combining structure and genomics to understand antimicrobial resistance

T. Clark, Nicholas Furnham, D. Ascher, 2020, Computational and structural biotechnology journal.

Estimating tuberculosis drug resistance amplification rates in high-burden settings

D. Ascher, J. Denholm, J. Trauer, 2022, BMC Infectious Diseases.

Modelling tuberculosis drug resistance amplification rates in high-burden settings

D. Ascher, J. Denholm, J. Trauer, 2021, bioRxiv.

Widespread remodeling of proteome solubility in response to different protein homeostasis stresses

Douglas E. V. Pires, M. Vendruscolo, G. Reid, 2020, Proceedings of the National Academy of Sciences.

Structural approaches to probing metal interaction with proteins.

M. Parker, D. Ascher, H. Harris, 2012, Journal of inorganic biochemistry.

Achieving selectivity in space and time with DNA double-strand-break response and repair: molecular stages and scaffolds come with strings attached

B. L. Sibanda, T. Blundell, D. Chirgadze, 2017, Structural Chemistry.

DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair

Tom L. Blundell, David B. Ascher, Dimitri Y. Chirgadze, 2017, Science.

Exploring Protein Supersecondary Structure Through Changes in Protein Folding, Stability, and Flexibility.

Carlos H. M. Rodrigues, Joicymara S. Xavier, D. Ascher, 2019, Methods in molecular biology.

Douglas E. V. Pires, Phillipe Taniere, Louise Izatt, 2017, Molecular genetics & genomic medicine.

Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases

Spencer J. Williams, G. Davies, D. Ascher, 2018, ACS central science.

Structure guided prediction of Pyrazinamide resistance mutations in pncA

Carlos H. M. Rodrigues, D. Ascher, J. Denholm, 2020, Scientific Reports.

Prediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches

Douglas E. V. Pires, Nicholas Furnham, D. Ascher, 2020, Scientific Reports.

Computational saturation mutagenesis to predict structural consequences of systematic mutations in the beta subunit of RNA polymerase in Mycobacterium leprae

Marcin J. Skwark, Carlos H. M. Rodrigues, T. Blundell, 2020, Computational and structural biotechnology journal.

Computational Saturation Mutagenesis of the β subunit of RNA polymerase in Mycobacterium leprae

Marcin J. Skwark, Carlos H. M. Rodrigues, T. Blundell, 2019, bioRxiv.

Computational Saturation Mutagenesis to predict structural consequences of systematic mutations on protein stability and rifampin interactions in the β subunit of RNA polymerase inMycobacterium leprae

Marcin J. Skwark, Carlos H. M. Rodrigues, T. Blundell, 2019 .

Understanding molecular consequences of putative drug resistant mutations in Mycobacterium tuberculosis

T. Clark, Nicholas Furnham, D. Ascher, 2018, Scientific Reports.

MTR-Viewer: identifying regions within genes under purifying selection

S. Petrovski, D. Ascher, M. Silk, 2019, Nucleic Acids Res..

Development of cognitive enhancers based on inhibition of insulin-regulated aminopeptidase

Michael W Parker, David B Ascher, M. Parker, 2008, BMC Neuroscience.

Human LC3 and GABARAP subfamily members achieve functional specificity via specific structural modulations

D. Ascher, Lipi Thukral, D. Pires, 2020, Autophagy.

Empirical ways to identify novel Bedaquiline resistance mutations in AtpE

Carlos H. M. Rodrigues, K. Holt, S. Dunstan, 2019, PloS one.

COVID-3D: An online resource to explore the structural distribution of genetic variation in SARS-CoV-2 and its implication on therapeutic development

Carlos H. M. Rodrigues, D. Ascher, M. Olshansky, 2020, bioRxiv.

mmCSM-AB: guiding rational antibody engineering through multiple point mutations

Douglas E. V. Pires, D. Ascher, D. Pires, 2020, Nucleic Acids Res..

HARP: a database of structural impacts of systematic missense mutations in drug targets of Mycobacterium leprae

Marcin J. Skwark, Ali F. Alsulami, T. Blundell, 2020, Computational and structural biotechnology journal.

Computational saturation mutagenesis to predict structural consequences of systematic mutations in the beta subunit of RNA polymerase in Mycobacterium leprae.

Marcin J. Skwark, Carlos H. M. Rodrigues, T. Blundell, 2020 .

Mercury methylation by metabolically versatile and cosmopolitan marine bacteria

S. Hallam, K. Holt, C. Lamborg, 2020, The ISME Journal.

Exploring the structural distribution of genetic variation in SARS-CoV-2 with the COVID-3D online resource

Douglas E. V. Pires, Carlos H. M. Rodrigues, D. Ascher, 2020, Nature Genetics.

A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.

Spencer J. Williams, T. Nero, M. Parker, 2019, Cell host & microbe.

Synthesis and Structure–Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH

T. Blundell, V. Mizrahi, J. Pató, 2019, European journal of medicinal chemistry.

Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.

T. Blundell, V. Mizrahi, J. Pató, 2019 .

Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).

T. Blundell, D. Chan, C. Abell, 2019, Bioorganic & medicinal chemistry letters.

The impact of size and charge on the pulmonary pharmacokinetics and immunological response of the lungs to PLGA nanoparticles after INTRATRACHEAL administration to rats.

D. Ascher, C. Pouton, L. Kaminskas, 2020, Nanomedicine : nanotechnology, biology, and medicine.

Deep Learning in Diabetic Foot Ulcers Detection: A Comprehensive Evaluation

Saeed Hassanpour, Christoph M. Friedrich, Eibe Frank, 2020, Comput. Biol. Medicine.

A recurrent de novo splice site variant involving DNM1 exon 10a causes developmental and epileptic encephalopathy through a dominant-negative mechanism

I. Helbig, B. Kennedy, A. Gelot, 2022, bioRxiv.

cropCSM: designing safe and potent herbicides with graph-based signatures

D. Ascher, J. Mylne, K. Stubbs, 2022, Briefings Bioinform..

Systematic evaluation of computational tools to predict the effects of mutations on protein stability in the absence of experimental structures

Qisheng Pan, D. Ascher, D. Pires, 2022, Briefings Bioinform..

Methotrexate-conjugated PEGylated dendrimers show differential patterns of deposition and activity in tumor-burdened lymph nodes after intravenous and subcutaneous administration in rats.

D. Owen, D. Ascher, T. Velkov, 2015, Molecular pharmaceutics.

Understanding and predicting the functional consequences of missense mutations in BRCA1 and BRCA2

D. Ascher, D. Pires, Mengyuan Shen, 2022, Scientific Reports.

Sequence grammar underlying the unfolding and phase separation of globular proteins.

R. Pappu, S. Radford, D. Ascher, 2022, Molecular cell.

Crystallization and preliminary X-ray diffraction analysis of human endoplasmic reticulum aminopeptidase 2.

M. Parker, D. Ascher, G. Polekhina, 2012, Acta crystallographica. Section F, Structural biology and crystallization communications.

Crystallization and preliminary X-ray analysis of the N-terminal domain of human thioredoxin-interacting protein.

M. Waltham, D. Ascher, G. Polekhina, 2011, Acta crystallographica. Section F, Structural biology and crystallization communications.

Evaluating hierarchical machine learning approaches to classify biological databases

Pâmela M. Rezende, Joicymara S. Xavier, D. Ascher, 2022, Briefings Bioinform..

Functional interactions between polypyrimidine tract binding protein and PRI peptide ligand containing proteins.

Douglas E. V. Pires, C. Gooding, C. Smith, 2016, Biochemical Society transactions.

CSM-Potential: mapping protein interactions and biological ligands in 3D space using geometric deep learning

Carlos H. M. Rodrigues, D. Ascher, 2022, Nucleic Acids Res..

Drug resistance-associated mutations in Plasmodium UBP-1 disrupt ubiquitin hydrolysis

Gerbrand J. van der Heden van Noort, D. Ascher, Marcus C. S. Lee, 2022, bioRxiv.

A microbial sulfoquinovose monooxygenase pathway that enables sulfosugar assimilation

Nichollas E. Scott, Eleanor C. Saunders, Spencer J. Williams, 2021 .

kinCSM: Using graph‐based signatures to predict small molecule CDK2 inhibitors

Douglas E. V. Pires, Carlos H. M. Rodrigues, D. Ascher, 2022, Protein science : a publication of the Protein Society.

Identifying the molecular drivers of ALS-implicated missense mutations

D. Ascher, D. Pires, Stephanie Portelli, 2022, Journal of Medical Genetics.

cardioToxCSM: A Web Server for Predicting Cardiotoxicity of Small Molecules

João P. L. Velloso, D. Ascher, D. Pires, 2022, J. Chem. Inf. Model..

Structural landscapes of PPI interfaces

Douglas E. V. Pires, Carlos H. M. Rodrigues, T. Blundell, 2022, Briefings Bioinform..

A bias of Asparagine to Lysine mutations in SARS-CoV-2 outside the receptor binding domain affects protein flexibility

M. Plebanski, J. Holien, Qisheng Pan, 2022, Frontiers in Immunology.

Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.

U. Rothlisberger, M. Parker, C. Morton, 2011, Chemistry.

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher, 2015, Journal of medicinal chemistry.

Identification and characterization of a new cognitive enhancer based on inhibition of insulin‐regulated aminopeptidase

Michael W Parker, Vi Pham, David B Ascher, 2008, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Identification and characterization of a new cognitive enhancer based on inhibition of insulinâ•’regulated aminopeptidase

C. Morton, S. Ye, D. Ascher, 2008 .

Identification of modulating residues defining the catalytic cleft of insulin-regulated aminopeptidase.

Michael W Parker, David B Ascher, M. Parker, 2008, Biochemistry and cell biology = Biochimie et biologie cellulaire.

Glutathione transferase P1‐1 as an arsenic drug‐sequestering enzyme

M. Parker, C. Morton, A. Bocedi, 2017, Protein science : a publication of the Protein Society.

SDM: a server for predicting effects of mutations on protein stability

Tom L. Blundell, David B. Ascher, Bernardo Ochoa-Montaño, 2017, Nucleic Acids Res..

Correction: Variation in Human Cytochrome P-450 Drug-Metabolism Genes: A Gateway to the Understanding of Plasmodium vivax Relapses

D. Ascher, L. H. Carvalho, D. Pires, 2018, PloS one.

Variation in Human Cytochrome P-450 Drug-Metabolism Genes: A Gateway to the Understanding of Plasmodium vivax Relapses

D. Ascher, L. H. Carvalho, D. Pires, 2016, PloS one.

Optimizing genomic medicine in epilepsy through a gene-customized approach to missense variant interpretation

David J Balding, David B Ascher, Michael Silk, 2017, Genome research.

Potent hepatitis C inhibitors bind directly to NS5A and reduce its affinity for RNA

Jerome Wielens, David B. Ascher, Michael W. Parker, 2014, Scientific Reports.

In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher, 2016, Scientific Reports.

DUET: a server for predicting effects of mutations on protein stability using an integrated computational approach

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher, 2014, Nucleic Acids Res..

Crystallization and preliminary X-ray diffraction analysis of the Fab fragment of WO2, an antibody specific for the Abeta peptides associated with Alzheimer's disease.

Michael W Parker, Colin L Masters, David B Ascher, 2008, Acta crystallographica. Section F, Structural biology and crystallization communications.

mCSM-AB2: guiding rational antibody design using graph-based signatures

Douglas E. V. Pires, Carlos H M Rodrigues, David B Ascher, 2019, Bioinform..

Combating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug design

Carlos H M Rodrigues, Douglas E V Pires, David B Ascher, 2017, Expert opinion on drug discovery.

Regulation of insulin-regulated membrane aminopeptidase activity by its C-terminal domain.

R. Cherny, M. Parker, C. Morton, 2011, Biochemistry.

A missense mutation in the MLKL brace region promotes lethal neonatal inflammation and hematopoietic dysfunction

Victoria E. Jackson, M. Brown, J. Reveille, 2020, Nature Communications.

Ubiquitin-Dependent Modification of Skeletal Muscle by the Parasitic Nematode, Trichinella spiralis

Michael P Weekes, Steven P Gygi, David B Ascher, 2016, PLoS pathogens.

Dimeric but not monomeric α-lactalbumin potentiates apoptosis by up regulation of ATF3 and reduction of histone deacetylase activity in primary and immortalised cells.

A. Brennan, K. Nicholas, D. Ascher, 2017, Cellular signalling.

Huntingtin Inclusions Trigger Cellular Quiescence, Deactivate Apoptosis, and Lead to Delayed Necrosis.

Ching-Seng Ang, Steven Finkbeiner, Anthony W Purcell, 2017, Cell reports.

Germline variants in tumor suppressor FBXW7 lead to impaired ubiquitination and a neurodevelopmental syndrome.

P. Lockhart, I. Scheffer, H. Mefford, 2022, American journal of human genetics.

A structural biology community assessment of AlphaFold2 applications

Douglas E. V. Pires, Norman E. Davey, Carlos H. M. Rodrigues, 2021, bioRxiv.

Platinum: a database of experimentally measured effects of mutations on structurally defined protein–ligand complexes

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher, 2014, Nucleic Acids Res..

Known allosteric proteins have central roles in genetic disease

M. Inouye, György Abrusán, D. Ascher, 2021, PLoS Comput. Biol..

The mutation G133D on Leishmania guyanensis AQP1 is highly destabilizing as revealed by molecular modeling and hypo-osmotic shock assay.

D. Ascher, D. Pires, R. Monte-Neto, 2021, Biochimica et biophysica acta. Biomembranes.

Protein-Protein Interactions: Structures and Druggability

Douglas E. V. Pires, Alicia P. Higueruelo, T. Blundell, 2015 .

Structure-guided machine learning prediction of drug resistance mutations in Abelson 1 kinase

Carlos H. M. Rodrigues, D. Ascher, D. Pires, 2021, Computational and structural biotechnology journal.

Anti-Aβ antibody target engagement: a response to Siemers et al.

David B. Ascher, Victor L. Villemagne, Catriona A. McLean, 2014, Acta Neuropathologica.

Familial STAG2 germline mutation defines a new human cohesinopathy

Douglas E. V. Pires, D. A. Gomes, Q. Qu, 2017, npj Genomic Medicine.

Familial STAG2 germline mutation defines a new human cohesinopathy

Hongtao Yu, Douglas E V Pires, David B Ascher, 2017, npj Genomic Medicine.

mCSM-AB: a web server for predicting antibody–antigen affinity changes upon mutation with graph-based signatures

Douglas E. V. Pires, David B. Ascher, D. Ascher, 2016, Nucleic Acids Res..

CSM-lig: a web server for assessing and comparing protein–small molecule affinities

Douglas E. V. Pires, David B. Ascher, D. Ascher, 2016, Nucleic Acids Res..

Mycobacterium tuberculosis whole genome sequencing and protein structure modelling provides insights into anti-tuberculosis drug resistance

Douglas E. V. Pires, Francesc Coll, Ruth McNerney, 2016, BMC Medicine.

Twelve novel HGD gene variants identified in 99 alkaptonuria patients: focus on ‘black bone disease’ in Italy

Ludevit Kadasi, Jan Radvanszky, Andrea Zatkova, 2015, European Journal of Human Genetics.

Analysis of HGD Gene Mutations in Patients with Alkaptonuria from the United Kingdom: Identification of Novel Mutations.

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher, 2015, JIMD reports.

mCSM: predicting the effects of mutations in proteins using graph-based signatures

Douglas E. V. Pires, Tom L. Blundell, David B. Ascher, 2013, Bioinform..

A Computational Approach From Gene to Structure Analysis of the Human ABCA4 Transporter Involved in Genetic Retinal Diseases.

Andrea Bernini, Andrea Sodi, Ottavia Spiga, 2017, Investigative ophthalmology & visual science.

Definition of the immune evasion-replication interface of rabies virus P protein

G. Moseley, D. Ascher, P. Gooley, 2021, PLoS pathogens.

The Presence, Persistence and Functional Properties of Plasmodium vivax Duffy Binding Protein II Antibodies Are Influenced by HLA Class II Allelic Variants

Douglas E. V. Pires, David B. Ascher, John H. Adams, 2016, PLoS neglected tropical diseases.

epitope3D: a machine learning method for conformational B-cell epitope prediction

D. Ascher, D. Pires, Yoochan Myung, 2021, Briefings Bioinform..

The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis

Tom L. Blundell, Menico Rizzi, Stewart T. Cole, 2016, ACS infectious diseases.

DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability

Douglas E. V. Pires, David B. Ascher, Carlos H. M. Rodrigues, 2018, Nucleic Acids Res..

mmCSM-PPI: predicting the effects of multiple point mutations on protein–protein interactions

Douglas E. V. Pires, Carlos H. M. Rodrigues, D. Ascher, 2021, Nucleic Acids Res..

DockNet: high-throughput protein–protein interface contact prediction

Carlos H. M. Rodrigues, J. Holien, D. Ascher, 2022, Bioinformatics.

CSM-Toxin: A Web-Server for Predicting Protein Toxicity

Carlos H. M. Rodrigues, D. Ascher, Vladimir Morozov, 2023, Pharmaceutics.

Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.

Thomas R. Ioerger, Travis Hartman, Tom L. Blundell, 2017, ACS infectious diseases.

Tumour risks and genotype–phenotype correlations associated with germline variants in succinate dehydrogenase subunit genes SDHB, SDHC and SDHD

Douglas E. V. Pires, Soo-Mi Park, A. Antoniou, 2018, Journal of Medical Genetics.

Variant type is associated with disease characteristics in SDHB, SDHC and SDHD-linked phaeochromocytoma–paraganglioma

P. Devilee, H. Neumann, D. Ascher, 2019, Journal of Medical Genetics.

Tumour risks and genotype–phenotype–proteotype analysis of patients with germline mutations in the succinate dehydrogenase subunit genes SDHB, SDHC, and SDHD

D. Goudie, N. Bradshaw, F. Lalloo, 2016, The Lancet.

Unveiling six potent and highly selective antileishmanial agents via the open source compound collection 'Pathogen Box' against antimony-sensitive and -resistant Leishmania braziliensis.

Douglas E. V. Pires, R. Coimbra, D. Ascher, 2021, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Novel Therapeutic Approaches to Treat Alzheimer's Disease and Memory Disorders

David B. Ascher, Michael W. Parker, Craig J. Morton, 2008 .

A novel deep intronic variant strongly associates with Alkaptonuria

Y. Chien, W. Hwu, D. Ascher, 2021, NPJ genomic medicine.

Homogentisate 1,2-dioxygenase (HGD) gene variants, their analysis and genotype–phenotype correlations in the largest cohort of patients with AKU

J. Královičová, D. Ascher, L. Ranganath, 2019, European Journal of Human Genetics.

SAP domain forms a flexible part of DNA aperture in Ku70/80

T. Blundell, R. Beckmann, D. Ascher, 2020, The FEBS journal.

Crystal structure of human insulin‐regulated aminopeptidase with specificity for cyclic peptides

M. Parker, C. Morton, J. Holien, 2015, Protein science : a publication of the Protein Society.

Structure of the N-terminal domain of human thioredoxin-interacting protein.

M. Waltham, M. Wilce, D. Ascher, 2013, Acta crystallographica. Section D, Biological crystallography.

DynaMut2: Assessing changes in stability and flexibility upon single and multiple point missense mutations

Douglas E. V. Pires, Carlos H M Rodrigues, Douglas E V Pires, 2020, Protein science : a publication of the Protein Society.

Crystallization and preliminary X-ray diffraction analysis of the Fab portion of the Alzheimer's disease immunotherapy candidate bapineuzumab complexed with amyloid-β.

Michael W Parker, David B Ascher, M. Parker, 2014, Acta crystallographica. Section F, Structural biology communications.

Do current therapeutic anti-Aβ antibodies for Alzheimer’s disease engage the target?

David B. Ascher, Victor L. Villemagne, Catriona A. McLean, 2014, Acta Neuropathologica.

PEGylation of interferon α2 improves lymphatic exposure after subcutaneous and intravenous administration and improves antitumour efficacy against lymphatic breast cancer metastases.

Christopher J H Porter, Lisa M Kaminskas, David B Ascher, 2013, Journal of controlled release : official journal of the Controlled Release Society.

VIVID: A Web Application for Variant Interpretation and Visualization in Multi-dimensional Analyses

I. Mueller, A. Jex, A. Barry, 2021, bioRxiv.

Missense mutations in the MLKL ‘brace’ region lead to lethal neonatal inflammation in mice and are present in high frequency in humans

M. Brown, J. Reveille, A. Bassuk, 2019, bioRxiv.

DNA-PKcs, Allostery, and DNA Double-Strand Break Repair: Defining the Structure and Setting the Stage.

Dimitri Y Chirgadze, Tom L Blundell, B. L. Sibanda, 2017, Methods in enzymology.

Achieving high signal-to-noise in cell regulatory systems: Spatial organization of multiprotein transmembrane assemblies of FGFR and MET receptors

T. Blundell, N. Harmer, D. Chirgadze, 2015, Progress in biophysics and molecular biology.

Germline Mutations in the CDKN 2 B Tumor Suppressor Gene Predispose to Renal Cell Carcinoma

T. Blundell, M. Simpson, R. Trembath, 2015 .

Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand.

Lisa M Kaminskas, Douglas E V Pires, David B Ascher, 2018, Methods in molecular biology.

Lst4, the yeast Fnip1/2 orthologue, is a DENN-family protein

T. Blundell, Nianshu Zhang, S. Dokudovskaya, 2015, Open Biology.

Fragment-Based Approach to Targeting Inosine-5′-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis

Chris Abell, Vinayak Singh, Tom L Blundell, 2018, Journal of medicinal chemistry.

PEGylation does not significantly change the initial intravenous or subcutaneous pharmacokinetics or lymphatic exposure of trastuzumab in rats but increases plasma clearance after subcutaneous administration.

D. Ascher, Victoria M Mcleod, C. Porter, 2015, Molecular pharmaceutics.

Assessing the performance of computational predictors for estimating protein stability changes upon missense mutations

T. Akutsu, Jiangning Song, D. Ascher, 2021, Briefings Bioinform..

ThermoMutDB: a thermodynamic database for missense mutations

Douglas E. V. Pires, Stephanie Portelli, David B. Ascher, 2020, Nucleic Acids Res..

Distinguishing between PTEN clinical phenotypes through mutation analysis

Douglas E. V. Pires, D. Ascher, Lucy Barr, 2021, Computational and structural biotechnology journal.

HGDiscovery: An online tool providing functional and phenotypic information on novel variants of homogentisate 1,2- dioxigenase

Carlos H. M. Rodrigues, D. Ascher, A. Santucci, 2021, bioRxiv.

Identifying Genotype-Phenotype Correlations via Integrative Mutation Analysis

Edward Airey, Stephanie Portelli, Joicymara S Xavier, 2021, Artificial Neural Networks, 3rd Edition.

mycoCSM: Using Graph-Based Signatures to Identify Safe Potent Hits against Mycobacteria

David B Ascher, Douglas Pires, D. Ascher, 2020, J. Chem. Inf. Model..

Analysis of a Novel pncA Mutation for Susceptibility to Pyrazinamide Therapy

Malancha Karmakar, David B Ascher, D. Ascher, 2018, American journal of respiratory and critical care medicine.

Frequent transmission of the Mycobacterium tuberculosis Beijing lineage and positive selection for EsxW Beijing variant in Vietnam

Michael Inouye, Yik Ying Teo, Guy Thwaites, 2018, Nature Genetics.

Structural Implications of Mutations Conferring Rifampin Resistance in Mycobacterium leprae

Sony Malhotra, Tom L Blundell, Eddy Arnold, 2018, Scientific Reports.

Machine Learning of ECG Waveforms to Improve Selection for Testing for Asymptomatic Left Ventricular Dysfunction Prompt.

Carlos H. M. Rodrigues, W. Abhayaratna, P. Sengupta, 2021, JACC. Cardiovascular imaging.

Mutations at protein-protein interfaces: Small changes over big surfaces have large impacts on human health.

Bernardo Ochoa-Montaño, Tom L Blundell, David B Ascher, 2017, Progress in biophysics and molecular biology.

Structural studies of Streptococcus pyogenes streptolysin O provide insights into the early steps of membrane penetration.

M. Parker, S. Feil, D. Ascher, 2014, Journal of molecular biology.

DHS-Crystallize: Deep-Hybrid-Sequence based method for predicting protein Crystallization

Azadeh Alavi, David B. Ascher, D. Ascher, 2020, bioRxiv.

Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria

Nichollas E. Scott, Eleanor C. Saunders, Spencer J. Williams, 2021, Proceedings of the National Academy of Sciences.

CSM-AB: graph-based antibody-antigen binding affinity prediction and docking scoring function

D. Ascher, D. Pires, Yoochan Myung, 2021, Bioinform..

Evolution of a New Pathway of Reserve Carbohydrate Biosynthesis in Leishmania Parasites

Spencer J. Williams, T. Nero, M. Parker, 2019, SSRN Electronic Journal.

Hyper transmission of Beijing lineage Mycobacterium tuberculosis: Systematic review and Meta-analysis.

D. Ascher, J. Denholm, J. Trauer, 2019, The Journal of infection.

A microbial sulfoquinovose monooxygenase pathway enables sulfosugar assimilation

Nichollas E. Scott, Spencer J. Williams, G. Davies, 2021 .

MTR3D: identifying regions within protein tertiary structures under purifying selection

Douglas E. V. Pires, Carlos H. M. Rodrigues, N. Thorne, 2021, Nucleic Acids Res..

PEGylated interferon displays differences in plasma clearance and bioavailability between male and female mice and between female immunocompetent C57Bl/6J and athymic nude mice.

David M. Shackleford, C. Landersdorfer, D. Ascher, 2015, Journal of pharmaceutical sciences.

Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.

V. Veverka, J. Trka, D. Ascher, 2018 .

Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation

David B. Ascher, Petr Novák, William L. Carroll, 2018, Leukemia.

A Comprehensive Computational Platform to Guide Drug Development Using Graph-Based Signature Methods.

Stephanie Portelli, Joicymara S Xavier, Michael Silk, 2020, Methods in molecular biology.

Nedd8 hydrolysis by UCH proteases in Plasmodium parasites

Gerbrand J. van der Heden van Noort, H. Ovaa, H. Laman, 2019, PLoS pathogens.

Insights from Spatial Measures of Intolerance to Identifying Pathogenic Variants in Developmental and Epileptic Encephalopathies

D. Ascher, M. Olshansky, M. Silk, 2021, bioRxiv.

pdCSM-cancer: Using Graph-Based Signatures to Identify Small Molecules with Anticancer Properties

Douglas E. V. Pires, Raghad Al-Jarf, David B. Ascher, 2021, J. Chem. Inf. Model..

dendPoint: a web resource for dendrimer pharmacokinetics investigation and prediction

David B Ascher, Lisa M Kaminskas, Douglas E V Pires, 2019, Scientific Reports.

CSM‐peptides: A computational approach to rapid identification of therapeutic peptides

Carlos H. M. Rodrigues, D. Ascher, D. Pires, 2022, Protein Science.

TSMDA: Target and symptom-based computational model for miRNA-disease-association prediction

Douglas E. V. Pires, D. Ascher, D. Pires, 2021, Molecular therapy. Nucleic acids.

pdCSM-PPI: Using Graph-Based Signatures to Identify Protein-Protein Interaction Inhibitors

Douglas E. V. Pires, David B. Ascher, Carlos H. M. Rodrigues, 2021, J. Chem. Inf. Model..

Kinact: a computational approach for predicting activating missense mutations in protein kinases

Douglas E. V. Pires, David B. Ascher, Carlos H. M. Rodrigues, 2018, Nucleic Acids Res..

mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactions

David B. Ascher, Douglas E.V. Pires, D. Ascher, 2017, Nucleic Acids Res..

Identifying the Molecular Drivers of Pathogenic Aldehyde Dehydrogenase Missense Mutations in Cancer and Non-Cancer Diseases

Qisheng Pan, D. Ascher, Dana Jessen-Howard, 2023, International journal of molecular sciences.

A broad-spectrum family GH13 α-glucosidase from Marinovum sp., a member of the Roseobacter clade

Spencer J. Williams, D. Ascher, E. Goddard-Borger, 2023, bioRxiv.

Structure guided prediction of Pyrazinamide resistance mutations in pncA

Carlos H. M. Rodrigues, D. Ascher, J. Denholm, 2020, Scientific Reports.

embryoTox: Using Graph-Based Signatures to Predict the Teratogenicity of Small Molecules

D. Ascher, D. Pires, R. Al-Jarf, 2023, J. Chem. Inf. Model..

toxCSM: comprehensive prediction of small molecule toxicity profiles

D. Ascher, D. Pires, Stephanie Portelli, 2022, Briefings Bioinform..

EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening

Michael Silk, Carlos H. Silveira, Yoochan Myung, 2020, Bioinform..

Frequent transmission of the Mycobacterium tuberculosis Beijing lineage and positive selection for EsxW Beijing variant in Vietnam

David J. Edwards, M. Inouye, Y. Teo, 2018, Nature Genetics.

Variation in Human Cytochrome P-450 Drug-Metabolism Genes: A Gateway to the Understanding of Plasmodium vivax Relapses

Douglas E. V. Pires, D. Ascher, L. H. Carvalho, 2016, PloS one.

Conjugation of 10 kDa Linear PEG onto Trastuzumab Fab' Is Sufficient to Significantly Enhance Lymphatic Exposure while Preserving in Vitro Biological Activity.

Christopher J H Porter, Lisa M Kaminskas, David B Ascher, 2016, Molecular pharmaceutics.

Flexibility and small pockets at protein e protein interfaces: New insights into druggability Progress in Biophysics and Molecular Biology

T. Blundell, D. Ascher, Harry C Jubb, 2022 .

mmCSM-NA: accurately predicting effects of single and multiple mutations on protein–nucleic acid binding affinity

D. Ascher, D. Pires, Yoochan Myung, 2021, NAR genomics and bioinformatics.

University of Birmingham SDHA related tumorigenesis:

Douglas E. V. Pires, Soo-Mi Park, Rosina Savisaar, 2017 .

University of Birmingham SDHA related tumorigenesis:

Douglas E. V. Pires, Soo-Mi Park, Rosina Savisaar, 2017 .

SARS-CoV-2 Africa dashboard for real-time COVID-19 information

Douglas E. V. Pires, Joicymara S. Xavier, T. de Oliveira, 2022, Nature Microbiology.

AI driven B-cell Immunotherapy Design

Douglas E. V. Pires, D. Ascher, D. Pires, 2023, ArXiv.

Identifying Innate Resistance Hotspots for SARS-CoV-2 Antivirals Using In Silico Protein Techniques

D. Ascher, Stephanie Portelli, Ruby Heaton, 2023, Genes.

DDMut: predicting effects of mutations on protein stability using deep learning

Douglas E. V. Pires, Carlos H. M. Rodrigues, Qisheng Pan, 2023, Nucleic Acids Res..

kinCSM: using graph-based signatures to predict small molecule CDK2 kinase inhibitors

Douglas E. V. Pires, Raghad Al-Jarf, David B. Ascher, 2021 .

Homogentisate 1,2-dioxygenase (HGD) gene variants, their analysis and genotype–phenotype correlations in the largest cohort of patients with AKU

J. Královičová, D. Ascher, L. Ranganath, 2019, European Journal of Human Genetics.

LEGO-CSM: a tool for functional characterization of proteins

Douglas E. V. Pires, Carlos H. M. Rodrigues, D. Ascher, 2023, Bioinformatics.

Understanding the complementarity and plasticity of antibody–antigen interfaces

Douglas E. V. Pires, D. Ascher, D. Pires, 2023, Bioinformatics.

Development of cognitive enhancers based on inhibition of insulin-regulated aminopeptidase

M. Parker, D. Ascher, P. Thompson, 2008, BMC Neuroscience.

Novel Therapeutic Approaches to Treat Alzheimer's Disease and Memory Disorders

M. Parker, C. Morton, D. Ascher, 2008 .

Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.

U. Rothlisberger, M. Parker, C. Morton, 2011, Chemistry.

Combating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug design

Douglas E. V. Pires, Carlos H. M. Rodrigues, D. Ascher, 2017, Expert opinion on drug discovery.

epitope1D: accurate taxonomy-aware B-cell linear epitope prediction

D. Ascher, D. Pires, B. D. da Silva, 2022, bioRxiv.

Do current therapeutic anti-Aβ antibodies for Alzheimer’s disease engage the target?

M. Parker, V. Villemagne, D. Ascher, 2014, Acta Neuropathologica.

A microbial sulfoquinovose monooxygenase pathway enables sulfosugar assimilation 1 2

Nichollas E. Scott, Eleanor C. Saunders, Spencer J. Williams, 2021 .

AI-driven GPCR analysis, engineering, and targeting.

Douglas E. V. Pires, João P. L. Velloso, D. Ascher, 2024, Current opinion in pharmacology.

The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis

T. Blundell, G. Kéri, S. Cole, 2016, ACS infectious diseases.

SDM: a server for predicting effects of mutations on protein stability

T. Blundell, A. P. Pandurangan, D. Ascher, 2017, Nucleic Acids Res..

Identification and characterization of a new cognitive enhancer based on inhibition of insulin‐regulated aminopeptidase

C. Morton, D. Ascher, A. Albiston, 2008, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Methotrexate-conjugated PEGylated dendrimers show differential patterns of deposition and activity in tumor-burdened lymph nodes after intravenous and subcutaneous administration in rats.

D. Owen, D. Ascher, T. Velkov, 2015, Molecular pharmaceutics.

Synthesis and StructureeActivity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH

T. Blundell, V. Mizrahi, J. Pató, 2022 .