GRaSP: a graph-based residue neighborhood strategy to predict binding sites

CA Santana, SA Silveira, JPA Moraes, SC Izidoro… - …, 2020 - academic.oup.com
Motivation The discovery of protein–ligand-binding sites is a major step for elucidating
protein function and for investigating new functional roles. Detecting protein–ligand-binding …

ProSNEx: a web-based application for exploration and analysis of protein structures using network formalism

RM Aydınkal, O Serçinoğlu, P Ozbek - Nucleic acids research, 2019 - academic.oup.com
Abstract ProSNEx (Protein Structure Network Explorer) is a web service for construction and
analysis of Protein Structure Networks (PSNs) alongside amino acid flexibility, sequence …

The Role of Structural Bioinformatics in Understanding Tumor Necrosis Factor α-Interacting Protein Mechanisms in Chronic Inflammatory Diseases: A Review

LL Bastos, D Mariano, RP Lemos, TS Bialves… - Immuno, 2024 - mdpi.com
Tumor necrosis factor α (TNF-α) is a multifunctional cytokine protein acknowledged as a vital
mediator in cell differentiation, proliferation, and survival. Additionally, TNF-α is a crucial …

Proteus: An algorithm for proposing stabilizing mutation pairs based on interactions observed in known protein 3D structures

JRMS Barroso, D Mariano, SR Dias, REO Rocha… - BMC …, 2020 - Springer
Background Protein engineering has many applications for industry, such as the
development of new drugs, vaccines, treatment therapies, food, and biofuel production. A …

visGReMLIN: graph mining-based detection and visualization of conserved motifs at 3D protein-ligand interface at the atomic level

VS Ribeiro, CA Santana, AV Fassio, FR Cerqueira… - BMC …, 2020 - Springer
Background Interactions between proteins and non-proteic small molecule ligands play
important roles in the biological processes of living systems. Thus, the development of …

ppiGReMLIN: a graph mining based detection of conserved structural arrangements in protein-protein interfaces

FC Queiroz, AMP Vargas, MGA Oliveira… - BMC …, 2020 - Springer
Abstract Background Protein-protein interactions (PPIs) are fundamental in many biological
processes and understanding these interactions is key for a myriad of applications including …

Bioinformatics and Computational Biology Research at the Computer Science Department at UFMG

D Mariano, FC Carvalho, LL Bastos… - Journal of Information …, 2024 - sol.sbc.org.br
Bioinformatics is an emerging research field that encompasses the use of computational
methods, algorithms, and tools to solve life science problems. At the Laboratory of …

ToxAnalyzer: a user-friendly web tool for interactive data analysis and visualization of chemical compounds from the comparative toxicogenomics database (CTD)™

DR Rodrigues, DCB Mariano, LHS Santos… - Computational …, 2021 - Elsevier
Toxicology is a field of science that has undergone changes in recent years. Using modern
sequencing technologies, it went from an exclusive animal-based science to a field of data …