GraphQA: protein model quality assessment using graph convolutional networks

F Baldassarre, D Menéndez Hurtado, A Elofsson… - …, 2021 - academic.oup.com
Motivation Proteins are ubiquitous molecules whose function in biological processes is
determined by their 3D structure. Experimental identification of a protein's structure can be …

3D-equivariant graph neural networks for protein model quality assessment

C Chen, X Chen, A Morehead, T Wu, J Cheng - Bioinformatics, 2023 - academic.oup.com
Motivation Quality assessment (QA) of predicted protein tertiary structure models plays an
important role in ranking and using them. With the recent development of deep learning end …

Protein model quality assessment using 3D oriented convolutional neural networks

G Pagès, B Charmettant, S Grudinin - Bioinformatics, 2019 - academic.oup.com
Motivation Protein model quality assessment (QA) is a crucial and yet open problem in
structural bioinformatics. The current best methods for single-model QA typically combine …

ProteinGCN: Protein model quality assessment using graph convolutional networks

S Sanyal, I Anishchenko, A Dagar, D Baker, P Talukdar - BioRxiv, 2020 - biorxiv.org
Blind estimation of local (per-residue) and global (for the whole structure) accuracies in
protein structure models is an essential step in many protein modeling applications. With the …

DeepQA: improving the estimation of single protein model quality with deep belief networks

R Cao, D Bhattacharya, J Hou, J Cheng - BMC bioinformatics, 2016 - Springer
Background Protein quality assessment (QA) useful for ranking and selecting protein models
has long been viewed as one of the major challenges for protein tertiary structure prediction …

DeepUMQA: ultrafast shape recognition-based protein model quality assessment using deep learning

SS Guo, J Liu, XG Zhou, GJ Zhang - Bioinformatics, 2022 - academic.oup.com
Motivation Protein model quality assessment is a key component of protein structure
prediction. In recent research, the voxelization feature was used to characterize the local …

Alphadesign: A graph protein design method and benchmark on alphafolddb

Z Gao, C Tan, SZ Li - arXiv preprint arXiv:2202.01079, 2022 - arxiv.org
While DeepMind has tentatively solved protein folding, its inverse problem--protein design
which predicts protein sequences from their 3D structures--still faces significant challenges …

QMEANDisCo—distance constraints applied on model quality estimation

G Studer, C Rempfer, AM Waterhouse… - …, 2020 - academic.oup.com
Motivation Methods that estimate the quality of a 3D protein structure model in absence of an
experimental reference structure are crucial to determine a model's utility and potential …

Improved model quality assessment using sequence and structural information by enhanced deep neural networks

J Liu, K Zhao, G Zhang - Briefings in bioinformatics, 2023 - academic.oup.com
Protein model quality assessment plays an important role in protein structure prediction,
protein design and drug discovery. In this work, DeepUMQA2, a substantially improved …

DeepGraphGO: graph neural network for large-scale, multispecies protein function prediction

R You, S Yao, H Mamitsuka, S Zhu - Bioinformatics, 2021 - academic.oup.com
Motivation Automated function prediction (AFP) of proteins is a large-scale multi-label
classification problem. Two limitations of most network-based methods for AFP are (i) a …