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Douglas Pires
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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
39002015
mCSM: predicting the effects of mutations in proteins using graph-based signatures
DEV Pires, DB Ascher, TL Blundell
Bioinformatics 30 (3), 335-342, 2014
9772014
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
9292018
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
8572014
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
4602022
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
3552021
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
3152019
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
2352018
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
1362016
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
1242016
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
1232016
mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactions
DEV Pires, DB Ascher
Nucleic acids research 45 (W1), W241-W246, 2017
1152017
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
1122016
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
1092016
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
1092009
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
1032015
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
952016
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
942015
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
912011
Prediction and optimization of pharmacokinetic and toxicity properties of the ligand
DEV Pires, LM Kaminskas, DB Ascher
Computational drug discovery and design, 271-284, 2018
882018
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Articles 1–20