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PPI network alignment aims to find topological and functional similarities between networks of different species. Several alignment approaches have been proposed. Each of these approaches relies on a different alignment method and uses…

定量方法 · 定量生物学 2019-11-25 Sarra Ghanjeti

Computationally predicting protein-protein interactions (PPIs) is challenging due to the lack of integrated, multimodal protein representations. DPEB is a curated collection of 22,043 human proteins that integrates four embedding types:…

The protein-protein interaction (PPI) network is crucial for cellular information processing and decision-making. With suitable inputs, PPI networks drive the cells to diverse functional outcomes such as cell proliferation or cell death.…

Most multi-view clustering methods are limited by shallow models without sound nonlinear information perception capability, or fail to effectively exploit complementary information hidden in different views. To tackle these issues, we…

机器学习 · 计算机科学 2022-10-14 Fu Lele , Zhang Lei , Yang Jinghua , Chen Chuan , Zhang Chuanfu , Zheng Zibin

Proteins perform their functions usually by interacting with other proteins. Predicting which proteins interact is a fundamental problem. Experimental methods are slow, expensive, and have a high rate of error. Many computational methods…

生物大分子 · 定量生物学 2017-05-22 Yiwei Li , Lucian Ilie

The high binding affinity of antibodies towards their cognate targets is key to eliciting effective immune responses, as well as to the use of antibodies as research and therapeutic tools. Here, we propose ANTIPASTI, a Convolutional Neural…

定量方法 · 定量生物学 2024-10-03 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

High-throughput protein interaction detection methods are strongly affected by false positive and false negative results. Focused experiments are needed to complement the large-scale methods by validating previously detected interactions…

分子网络 · 定量生物学 2007-05-23 Istvan Albert , Reka Albert

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

机器学习 · 计算机科学 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

Protein language models often take into consideration the alignment between a protein sequence and its textual description. However, they do not take structural information into consideration. Traditional methods treat sequence and…

机器学习 · 计算机科学 2026-03-10 Aditya Ranganath , Hasin Us Sami , Kowshik Thopalli , Bhavya Kailkhura , Wesam Sakla

Accurate prediction of drug-target interactions (DTI) is critical for drug discovery. Existing methods often rely on single-modal representations (e.g., sequences or graphs) or combine only two modalities, overlooking 3D structural…

机器学习 · 计算机科学 2026-05-29 Le Xu , Xi Zhang , Dan Luo , Ting Wang , Xuan Lin

Multimodal protein features play a crucial role in protein function prediction. However, these features encompass a wide range of information, ranging from structural data and sequence features to protein attributes and interaction…

机器学习 · 计算机科学 2025-11-07 Xiaoling Luo , Peng Chen , Chengliang Liu , Xiaopeng Jin , Jie Wen , Yumeng Liu , Junsong Wang

Recent advances in protein language models have catalyzed significant progress in peptide sequence representation. Despite extensive exploration in this field, pre-trained models tailored for peptide-specific needs remain largely…

机器学习 · 计算机科学 2024-01-23 Ruochi Zhang , Haoran Wu , Chang Liu , Huaping Li , Yuqian Wu , Kewei Li , Yifan Wang , Yifan Deng , Jiahui Chen , Fengfeng Zhou , Xin Gao

Cold-start drug-target interaction (DTI) prediction focuses on interaction between novel drugs and proteins. Previous methods typically learn transferable interaction patterns between structures of drug and proteins to tackle it. However,…

机器学习 · 计算机科学 2025-10-07 Ziying Zhang , Yaqing Wang , Yuxuan Sun , Min Ye , Quanming Yao

Compound-protein pairs dominate FDA-approved drug-target pairs and the prediction of compound-protein affinity and contact (CPAC) could help accelerate drug discovery. In this study we consider proteins as multi-modal data including 1D…

生物大分子 · 定量生物学 2020-12-02 Yuning You , Yang Shen

Cellular functions are based on the complex interplay of proteins, therefore the structure and dynamics of these protein-protein interaction (PPI) networks are the key to the functional understanding of cells. In the last years, large-scale…

分子网络 · 定量生物学 2013-03-27 Yuliang Jin , Dmitrij Turaev , Thomas Weinmaier , Thomas Rattei , Hernan A. Makse

The interaction between Ribonucleic Acids (RNAs) and proteins, also called RNA Protein Interaction (RPI), plays an important role in the life activities of organisms, including in various regulatory processes, such as gene splicing, gene…

定量方法 · 定量生物学 2024-10-02 Danyu Li , Rubing Huang , Chenhui Cui , Dave Towey , Ling Zhou , Jinyu Tian , Bin Zou

Parkinson's Disease (PD) affects millions globally, impacting movement. Prior research utilized deep learning for PD prediction, primarily focusing on medical images, neglecting the data's underlying manifold structure. This work proposes a…

计算机视觉与模式识别 · 计算机科学 2024-08-27 Jun-En Ding , Chien-Chin Hsu , Feng Liu

Accurate prediction of drug-target interactions (DTI) is pivotal for drug discovery, yet existing methods often fail to address challenges like cross-domain generalization, cold-start prediction, and interpretability. In this work, we…

多媒体 · 计算机科学 2025-10-23 Xiangyu Li , Haojie Yang , Kaimiao Hu , Runzhi Wu , Liangliang Liu , Ran Su

We provide a visualization model that targets the visualization of Protein-Protein Interactions(PPI) and combines it with a super view based on publications and methods to extract interactions. Although there are several existing tools, our…

信息检索 · 计算机科学 2021-11-29 Melih Sozdinler

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

机器学习 · 计算机科学 2024-04-19 Mingda Xu , Peisheng Qian , Ziyuan Zhao , Zeng Zeng , Jianguo Chen , Weide Liu , Xulei Yang