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GPSFun: geometry-aware protein sequence function predictions with language models

delete2024-05-13
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OA
AI
Q
Qianmu Yuan
C
Chong Tian
Y
Yidong Song
P
Peihua Ou
M
Mingming Zhu
H
Huiying Zhao *
杨跃东 封面图
杨跃东 (Yuedong Yang) *
DOI:10.1093/nar/gkae381delete
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摘要

摘要

En 中文
Knowledge of protein function is essential for elucidating disease mechanisms and discovering new drug targets. However, there is a widening gap between the exponential growth of protein sequences and their limited function annotations. In our prior studies, we have developed a series of methods including GraphPPIS, GraphSite, LMetalSite and SPROF-GO for protein function annotations at residue or protein level. To further enhance their applicability and performance, we now present GPSFun, a versatile web server for Geometry-aware Protein Sequence Function annotations, which equips our previous tools with language models and geometric deep learning. Specifically, GPSFun employs large language models to efficiently predict 3D conformations of the input protein sequences and extract informative sequence embeddings. Subsequently, geometric graph neural networks are utilized to capture the sequence and structure patterns in the protein graphs, facilitating various downstream predictions including protein-ligand binding sites, gene ontologies, subcellular locations and protein solubility. Notably, GPSFun achieves superior performance to state-of-the-art methods across diverse tasks without requiring multiple sequence alignments or experimental protein structures. GPSFun is freely available to all users at https://bio-web1.nscc-gz.cn/app/GPSFun with user-friendly interfaces and rich visualizations. Graphical Abstract
Keyword:
BINDING-PROTEINS
STRUCTURE ALIGNMENT
DOMAIN ANTIBODIES
RECEPTOR
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期刊

Nucleic Acids Research 封面图
Nucleic Acids Research
IF:
13.1
论文数:
3.6W
被引数:
29.0W

机构

S
Sun Yat Sen University
学者数:
9.9W
论文数: 7.2W
被引数: 95
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