Douglas Pires

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David AscherUniversity of Queensland; Baker InstituteVerified email at uq.edu.au
Carlos RodriguesCSIRO - Australian Centre for Disease PreparednessVerified email at csiro.au
Tom L BlundellEmeritus Professor of Biochemistry, University of CambridgeVerified email at cam.ac.uk
Yoochan MyungThe University of QueenslandVerified email at uq.edu.au
Wagner Meira, Jr.Professor of Computer Science, Universidade Federal de Minas Gerais, BrazilVerified email at dcc.ufmg.br
Stephanie PortelliUniversity of QueenslandVerified email at uq.edu.au
Alex G. C. de SáBaker Heart and Diabetes Institute; University of Queensland; University of MelbourneVerified email at baker.edu.au
Carlos Henrique da SilveiraProfessor, Federal University of Itajuba - UNIFEIVerified email at unifei.edu.br
Nguyen ThanhbinhThe university of QueenslandVerified email at uq.edu.au
Joicymara XavierUFVJM - Universidade Federal dos Vales do Jequitinhonha e Mucuri; UFMG - Universidade Federal deVerified email at ufvjm.edu.br
Azadeh AlaviSchool of Computing Technologies, RMIT UniversityVerified email at rmit.edu.au
Emma R. WoodwardManchester Centre for Genomic MedicineVerified email at mft.nhs.uk
Pâmela Marinho RezendeDoutoranda em Bioinformática, Universidade Federal de Minas GeraisVerified email at minas.fiocruz.br
Spencer J WilliamsSchool of Chemistry and Bio21 Institute, University of MelbourneVerified email at unimelb.edu.au
Bruna Moreira da SilvaResearch Fellow at The University of MelbourneVerified email at unimelb.edu.au
Eamonn MaherAston UniversityVerified email at aston.ac.uk
Elston N D'SouzaUniversity of OxfordVerified email at well.ox.ac.uk
Moshe OlshanskyBaker Heart & Diabetes InstituteVerified email at baker.edu.au
Malancha KarmakarPostdoctoral ResearcherVerified email at uni-koeln.de
Daniel Capurro, MD, PhDAssociate Professor in Digital Health - Computing and Information Systems, University of MelbourneVerified email at unimelb.edu.au

Douglas Pires

Exscientia, School of Computing and Information Systems, The University of Melbourne

Verified email at exscientia.co.uk

Structural Bioinformatics Machine Learning Drug Discovery Cheminformatics Exscientia


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pkCSM: predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures DEV Pires, TL Blundell, DB Ascher Journal of medicinal chemistry 58 (9), 4066-4072, 2015	3338	2015
mCSM: predicting the effects of mutations in proteins using graph-based signatures DEV Pires, DB Ascher, TL Blundell Bioinformatics 30 (3), 335-342, 2014	917	2014
DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability CHM Rodrigues, DEV Pires, DB Ascher Nucleic acids research 46 (W1), W350-W355, 2018	865	2018
DUET: a server for predicting effects of mutations on protein stability using an integrated computational approach DEV Pires, DB Ascher, TL Blundell Nucleic acids research 42 (W1), W314-W319, 2014	800	2014
A structural biology community assessment of AlphaFold2 applications M Akdel, DEV Pires, EP Pardo, J Jänes, AO Zalevsky, B Mészáros, ... Nature Structural & Molecular Biology 29 (11), 1056-1067, 2022	386	2022
DynaMut2: Assessing changes in stability and flexibility upon single and multiple point missense mutations CHM Rodrigues, DEV Pires, DB Ascher Protein Science 30 (1), 60-69, 2021	290	2021
mCSM-PPI2: predicting the effects of mutations on protein–protein interactions CHM Rodrigues, Y Myung, DEV Pires, DB Ascher Nucleic acids research 47 (W1), W338-W344, 2019	285	2019
Tumour risks and genotype–phenotype correlations associated with germline variants in succinate dehydrogenase subunit genes SDHB, SDHC and SDHD KA Andrews, DB Ascher, DEV Pires, DR Barnes, L Vialard, RT Casey, ... Journal of medical genetics 55 (6), 384-394, 2018	221	2018
mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance DEV Pires, TL Blundell, DB Ascher Scientific reports 6 (1), 29575, 2016	133	2016
mCSM-AB: a web server for predicting antibody–antigen affinity changes upon mutation with graph-based signatures DEV Pires, DB Ascher Nucleic acids research 44 (W1), W469-W473, 2016	119	2016
Mycobacterium tuberculosis whole genome sequencing and protein structure modelling provides insights into anti-tuberculosis drug resistance J Phelan, F Coll, R McNerney, DB Ascher, DEV Pires, N Furnham, ... BMC medicine 14, 1-13, 2016	118	2016
CSM-lig: a web server for assessing and comparing protein–small molecule affinities DEV Pires, DB Ascher Nucleic acids research 44 (W1), W557-W561, 2016	108	2016
Twelve novel HGD gene variants identified in 99 alkaptonuria patients: focus on ‘black bone disease’in Italy M Nemethova, J Radvanszky, L Kadasi, DB Ascher, DEV Pires, ... European Journal of Human Genetics 24 (1), 66-72, 2016	108	2016
mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactions DEV Pires, DB Ascher Nucleic acids research 45 (W1), W241-W246, 2017	105	2017
Protein cutoff scanning: A comparative analysis of cutoff dependent and cutoff free methods for prospecting contacts in proteins CH da Silveira, DEV Pires, RC Minardi, C Ribeiro, CJM Veloso, ... Proteins: Structure, Function, and Bioinformatics 74 (3), 727-743, 2009	104	2009
Germline Mutations in the CDKN2B Tumor Suppressor Gene Predispose to Renal Cell Carcinoma M Jafri, NC Wake, DB Ascher, DEV Pires, D Gentle, MR Morris, ... Cancer discovery 5 (7), 723-729, 2015	101	2015
Platinum: a database of experimentally measured effects of mutations on structurally defined protein–ligand complexes DEV Pires, TL Blundell, DB Ascher Nucleic acids research 43 (D1), D387-D391, 2015	94	2015
In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity DEV Pires, J Chen, TL Blundell, DB Ascher Scientific reports 6 (1), 19848, 2016	92	2016
Cutoff Scanning Matrix (CSM): structural classification and function prediction by protein inter-residue distance patterns DEV Pires, RC de Melo-Minardi, MA dos Santos, CH da Silveira, ... BMC Genomics 12 (Suppl 4), S12, 2011	89	2011
Variation in Human Cytochrome P-450 Drug-Metabolism Genes: A Gateway to the Understanding of Plasmodium vivax Relapses ACR Silvino, GL Costa, FCF Araújo, DB Ascher, DEV Pires, CJF Fontes, ... PloS one 11 (7), e0160172, 2016	79	2016

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