Douglas E. V. Pires

发表

GASS-WEB: a web server for identifying enzyme active sites based on genetic algorithms

Gisele L. Pappa, João P. A. Moraes, Douglas E. V. Pires, 2017, 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..

Repurposed Molecules: A New Hope in Tackling Neglected Infectious Diseases

Douglas E. V. Pires, Christopher Fernandez-Prada, Noelie Douanne, 2019, In Silico Drug Design.

PDBest: a user-friendly platform for manipulating and enhancing protein structures

Wagner Meira, Douglas E. V. Pires, Raquel Cardoso de Melo Minardi, 2015, Bioinform..

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..

Automated Monitoring System to Support Investigation of Contributing Factors of Work-Related Disorders and Accidents

Douglas E. V. Pires, Sandro C. Izidoro, Erika R. Chambriard, 2020 .

FPCluster: Uma estratégia eficiente de agrupamento out-of-core sem medida de similaridade

Wagner Meira, Dorgival O. Guedes, Douglas E. V. Pires, 2011, SBBD.

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..

aCSM: noise-free graph-based signatures to large-scale receptor-based ligand prediction

Wagner Meira, Douglas E. V. Pires, Raquel Cardoso de Melo Minardi, 2013, Bioinform..

HydroPaCe: understanding and predicting cross-inhibition in serine proteases through hydrophobic patch centroids

Wagner Meira, Douglas E. V. Pires, Raquel Cardoso de Melo Minardi, 2012, Bioinform..

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..

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

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

FPCluster: An Efficient Out-of-core Clustering Strategy without a Similarity Metric

Wagner Meira, Douglas E. V. Pires, Dorgival Olavo Guedes Neto, 2012, J. Inf. Data Manag..

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..

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..

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..

ThermoMutDB: a thermodynamic database for missense mutations

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

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..

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.

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.

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.

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.

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.

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.

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..

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.

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.

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.

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.

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.

Searching for plant-derived antivirals against dengue virus and Zika virus

Douglas E. V. Pires, E. Kroon, L. Rosa, 2022, Virology journal.

A structural biology community assessment of AlphaFold2 applications

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

MTR3D: identifying regions within protein tertiary structures under purifying selection

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

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.

Familial STAG2 germline mutation defines a new human cohesinopathy

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

Protein-Protein Interactions: Structures and Druggability

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

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.

LEGO-CSM: a tool for functional characterization of proteins

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

AI-driven GPCR analysis, engineering, and targeting.

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

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.

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.

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.

Distinguishing between PTEN clinical phenotypes through mutation analysis

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

Understanding the complementarity and plasticity of antibody–antigen interfaces

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

AI driven B-cell Immunotherapy Design

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

Structural landscapes of PPI interfaces

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

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

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

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

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

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.

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

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

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

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 .

An integrated computational approach can classify VHL missense mutations according to risk of clear cell renal carcinoma

Douglas E. V. Pires, T. Blundell, M. Bycroft, 2014, Human molecular genetics.

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..

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

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

HydroPaCe: understanding and predicting cross-inhibition in serine proteases through hydrophobic patch centroids

Douglas E. V. Pires, Valdete M. Gonçalves-Almeida, Douglas E. V. Pires, 2012, Bioinform..

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

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