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We propose a novel approach for predicting protein-peptide interactions using a bi-modal transformer architecture that learns an inter-facial joint distribution of residual contacts. The current data sets for crystallized protein-peptide…

生物大分子 · 定量生物学 2023-06-02 Justin Diamond , Markus Lill

Machine learning predictions are increasingly used to supplement incomplete or costly-to-measure outcomes in fields such as biomedical research, environmental science, and social science. However, treating predictions as ground truth…

机器学习 · 统计学 2026-01-29 Yilin Song , Dan M. Kluger , Harsh Parikh , Tian Gu

Protein-protein interaction networks provide a graph-level view of cellular organization, yet their functional modules are overlapping, noisy, and difficult to interpret from cluster assignments alone. Existing community-detection methods…

社会与信息网络 · 计算机科学 2026-05-21 Sima Soltani , Mehrdad Jalali , Yahya Forghani

Viral infections are causing significant morbidity and mortality worldwide. Understanding the interaction patterns between a particular virus and human proteins plays a crucial role in unveiling the underlying mechanism of viral infection…

机器学习 · 计算机科学 2021-11-30 Thi Ngan Dong , Graham Brogden , Gisa Gerold , Megha Khosla

Biomedical text mining is becoming increasingly important as the number of biomedical documents rapidly grows. With the progress in natural language processing (NLP), extracting valuable information from biomedical literature has gained…

计算与语言 · 计算机科学 2019-10-21 Jinhyuk Lee , Wonjin Yoon , Sungdong Kim , Donghyeon Kim , Sunkyu Kim , Chan Ho So , Jaewoo Kang

Motivation: High-throughput experimental techniques have been producing more and more protein-protein interaction (PPI) data. PPI network alignment greatly benefits the understanding of evolutionary relationship among species, helps…

数据结构与算法 · 计算机科学 2016-04-13 Somaye Hashemifar , Qixing Huang , Jinbo XU

Motivation: Machine learning based prediction of compound-protein interactions (CPIs) is important for drug design, screening and repurposing studies and can improve the efficiency and cost-effectiveness of wet lab assays. Despite the…

定量方法 · 定量生物学 2022-02-02 Adiba Yaseen , Imran Amin , Naeem Akhter , Asa Ben-Hur , Fayyaz Minhas

The extraction of interactions between chemicals and proteins from several biomedical articles is important in many fields of biomedical research such as drug development and prediction of drug side effects. Several natural language…

计算与语言 · 计算机科学 2020-11-05 Dongha Choi , Hyunju Lee

The alignment of protein-protein interaction (PPI) networks has many applications, such as the detection of conserved biological network motifs, the prediction of protein interactions, and the reconstruction of phylogenetic trees [1, 2, 3].…

分子网络 · 定量生物学 2018-02-22 Ehsan Kazemi , Matthias Grossglauser

Motivation: Protein embedding, which represents proteins as numerical vectors, is a crucial step in various learning-based protein annotation/classification problems, including gene ontology prediction, protein-protein interaction…

基因组学 · 定量生物学 2024-05-21 Jiayu Shang , Cheng Peng , Yongxin Ji , Jiaojiao Guan , Dehan Cai , Xubo Tang , Yanni Sun

Intrinsically Disordered Proteins (IDPs) constitute a large and structure-less class of proteins with significant functions. The existence of IDPs challenges the conventional notion that the biological functions of proteins rely on their…

生物大分子 · 定量生物学 2024-11-26 Parisa Mollaei , Danush Sadasivam , Chakradhar Guntuboina , Amir Barati Farimani

We introduce a biomedical information extraction (IE) pipeline that extracts biological relationships from text and demonstrate that its components, such as named entity recognition (NER) and relation extraction (RE), outperform…

机器学习 · 计算机科学 2020-11-13 Jupinder Parmar , William Koehler , Martin Bringmann , Katharina Sophia Volz , Berk Kapicioglu

Proteins are essential component of human life and their structures are important for function and mechanism analysis. Recent work has shown the potential of AI-driven methods for protein structure prediction. However, the development of…

Many protein-protein interaction (PPI) networks take place in the fluid yet structured plasma membrane. Lipid domains, sometimes termed rafts, have been implicated in the functioning of various membrane-bound signaling processes. Here, we…

生物物理 · 物理学 2025-11-03 Taylor Schaffner , Benjamin B. Machta

Assessing the quality of scientific research is essential for scholarly communication, yet widely used approaches face limitations in scalability, subjectivity, and time delay. Recent advances in large language models (LLMs) offer new…

信息检索 · 计算机科学 2026-04-21 Mengjia Wu , Yi Zhang , Robin Haunschild , Lutz Bornmann

Reliable biomedical and clinical retrieval requires more than strong ranking performance: it requires a practical way to find systematic model failures and curate the training evidence needed to correct them. Late-interaction models such as…

信息检索 · 计算机科学 2026-04-22 François Remy

Protein-protein interaction (PPI) modeling has been widely studied as a binary or multi-label classification task. While emerging multimodal large language models (LLMs) can now describe single proteins, they remain unable to generate…

计算工程、金融与科学 · 计算机科学 2026-05-12 Xiao Fei , Sarah Almeida Carneiro , Yang Zhang , Lawrence P. Petalidis , Achilleas Tsortos , Costas Bouyioukos , Michalis Vazirgiannis

Motivation: Protein-protein interactions (PPIs) are usually modelled as networks. These networks have extensively been studied using graphlets, small induced subgraphs capturing the local wiring patterns around nodes in networks. They…

分子网络 · 定量生物学 2018-04-13 Noel Malod-Dognin , Natasa Przulj

Protein interactions constitute the fundamental building block of almost every life activity. Identifying protein communities from Protein-Protein Interaction (PPI) networks is essential to understand the principles of cellular organization…

社会与信息网络 · 计算机科学 2019-11-26 Jianguo Chen , Kenli Li , Kashif Bilal , Ahmed A. Metwally , Keqin Li , Philip S. Yu

This study evaluated the effect of BioBERT in medical text processing for the task of medical named entity recognition. Through comparative experiments with models such as BERT, ClinicalBERT, SciBERT, and BlueBERT, the results showed that…

计算与语言 · 计算机科学 2024-12-12 Jiacheng Hu , Runyuan Bao , Yang Lin , Hanchao Zhang , Yanlin Xiang