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List of works by Douglas E V Pires

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

scientific article published on 01 January 2020

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

scientific article

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

scientific article published on 01 September 2019

A structural biology community assessment of AlphaFold 2 applications

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

scientific article published on 26 June 2014

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

scientific article

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

scientific article published on 04 January 2021

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

scientific article

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

scientific article published on June 2017

Cutoff Scanning Matrix (CSM): structural classification and function prediction by protein inter-residue distance patterns ⬇️

scientific article published on December 22, 2011

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

scientific article published on 14 May 2014

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

scientific article published on 03 September 2020

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

scientific article published in July 2018

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

scientific article published on 12 May 2020

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

scientific article published on 01 January 2019

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

scientific article published on 09 September 2020

Familial STAG2 germline mutation defines a new human cohesinopathy

scientific article published on 20 March 2017

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

scientific article published on August 2016

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

scientific article

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

scientific article

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

scientific article published on 08 February 2019

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

scientific article published on 28 April 2019

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

scientific article published on 9 December 2011

Identifying Genotype-Phenotype Correlations via Integrative Mutation Analysis

scientific article published on 01 January 2021

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

scientific article

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

scientific article published in July 2018

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

scientific article

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

scientific article published on 24 April 2015

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

scientific article

Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand

scientific article published on 01 January 2018

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

scientific article published on 22 October 2020

Protein cutoff scanning: A comparative analysis of cutoff dependent and cutoff free methods for prospecting contacts in proteins.

scientific article published in February 2009

SDHA related tumorigenesis: a new case series and literature review for variant interpretation and pathogenicity.

scientific article

Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases

scientific article published on 05 September 2018

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

scientific article published on 16 September 2021

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

scientific article

ThermoMutDB: a thermodynamic database for missense mutations

scientific article published on 23 October 2020

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

scientific article published on 25 March 2015

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

scientific article published on 06 September 2019

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

scientific article

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

scientific article published on 8 February 2013

dendPoint: a web resource for dendrimer pharmacokinetics investigation and prediction

scientific article published on 29 October 2019

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

scientific article published on 01 March 2020

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

scientific article published on 23 May 2016

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

scientific article

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

scientific article published on 01 July 2019

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

scientific article

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

scientific article published on 29 May 2020

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

scientific article published on 26 November 2013

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

scientific article published on 20 May 2020

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

scientific article published on 22 April 2015

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