Protein structural bioinformatics: An overview

V de Almeida Paiva, I de Souza Gomes… - Computers in Biology …, 2022 - Elsevier
Proteins play a crucial role in organisms in nature. They are able to perform structural,
catalytic, transport and defense functions in cells, among others. We understand that a …

Proteins and their interacting partners: An introduction to protein–ligand binding site prediction methods

DB Roche, DA Brackenridge, LJ McGuffin - International journal of …, 2015 - mdpi.com
Elucidating the biological and biochemical roles of proteins, and subsequently determining
their interacting partners, can be difficult and time consuming using in vitro and/or in vivo …

Analysis of protein-ligand interactions of SARS-Cov-2 against selective drug using deep neural networks

N Yuvaraj, K Srihari, S Chandragandhi… - Big Data Mining and …, 2021 - ieeexplore.ieee.org
In recent time, data analysis using machine learning accelerates optimized solutions on
clinical healthcare systems. The machine learning methods greatly offer an efficient …

High precision protein functional site detection using 3D convolutional neural networks

W Torng, RB Altman - Bioinformatics, 2019 - academic.oup.com
Motivation Accurate annotation of protein functions is fundamental for understanding
molecular and cellular physiology. Data-driven methods hold promise for systematically …

eHSCPr discriminating the cell identity involved in endothelial to hematopoietic transition

H Wang, P Liang, L Zheng, CS Long, HS Li… - …, 2021 - academic.oup.com
Abstract Motivation Hematopoietic stem cells (HSCs) give rise to all blood cells and play a
vital role throughout the whole lifespan through their pluripotency and self-renewal …

Exploring the potential of 3D Zernike descriptors and SVM for protein–protein interface prediction

S Daberdaku, C Ferrari - BMC bioinformatics, 2018 - Springer
Background The correct determination of protein–protein interaction interfaces is important
for understanding disease mechanisms and for rational drug design. To date, several …

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 …

Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine …

G Macari, D Toti, F Polticelli - Journal of computer-aided molecular design, 2019 - Springer
In the current “genomic era” the number of identified genes is growing exponentially.
However, the biological function of a large number of the corresponding proteins is still …

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

JPA Moraes, GL Pappa, DEV Pires… - Nucleic acids …, 2017 - academic.oup.com
Enzyme active sites are important and conserved functional regions of proteins whose
identification can be an invaluable step toward protein function prediction. Most of the …