Douglas Pires

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David AscherUniversity of Queensland; Baker InstituteE-mail confirmado em uq.edu.au
Carlos RodriguesCSIRO - Australian Centre for Disease PreparednessE-mail confirmado em csiro.au
Tom L BlundellEmeritus Professor of Biochemistry, University of CambridgeE-mail confirmado em cam.ac.uk
Yoochan MyungThe University of QueenslandE-mail confirmado em uq.edu.au
Wagner Meira, Jr.Professor of Computer Science, Universidade Federal de Minas Gerais, BrazilE-mail confirmado em dcc.ufmg.br
Stephanie PortelliUniversity of QueenslandE-mail confirmado em uq.edu.au
Carlos Henrique da SilveiraProfessor, Federal University of Itajuba - UNIFEIE-mail confirmado em unifei.edu.br
Alex G. C. de SáBaker Heart and Diabetes Institute; University of Queensland; University of MelbourneE-mail confirmado em baker.edu.au
Nguyen ThanhbinhThe university of QueenslandE-mail confirmado em uq.edu.au
Joicymara XavierUFVJM - Universidade Federal dos Vales do Jequitinhonha e Mucuri; UFMG - Universidade Federal deE-mail confirmado em ufvjm.edu.br
Emma R. WoodwardManchester Centre for Genomic MedicineE-mail confirmado em mft.nhs.uk
Azadeh AlaviSchool of Computing Technologies, RMIT UniversityE-mail confirmado em rmit.edu.au
Pâmela Marinho RezendeDoutoranda em Bioinformática, Universidade Federal de Minas GeraisE-mail confirmado em minas.fiocruz.br
Spencer J WilliamsSchool of Chemistry and Bio21 Institute, University of MelbourneE-mail confirmado em unimelb.edu.au
Bruna Moreira da SilvaResearch Fellow at The University of MelbourneE-mail confirmado em unimelb.edu.au
Eamonn MaherUniversity of CambridgeE-mail confirmado em medschl.cam.ac.uk
Elston N D'SouzaUniversity of OxfordE-mail confirmado em well.ox.ac.uk
Moshe OlshanskyBaker Heart & Diabetes InstituteE-mail confirmado em baker.edu.au
Malancha KarmakarPostdoctoral ResearcherE-mail confirmado em uni-koeln.de
Cor J FontesProfessor, Faculdade de Medicina, Universidade Federal de Mato Grosso, BrazilE-mail confirmado em ufmt.br

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Douglas Pires

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

E-mail confirmado em 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	3145	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	889	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	827	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	782	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	357	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	270	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	269	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	216	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	129	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	115	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	113	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	107	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	106	2016
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	105	2009
mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactions DEV Pires, DB Ascher Nucleic acids research 45 (W1), W241-W246, 2017	101	2017
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	97	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	90	2016
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	89	2015
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	85	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	76	2016

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