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Recent advances in Natural Language Processing (NLP) have ignited interest in developing effective methods for predicting protein-ligand interactions (PLIs) given their relevance to drug discovery and protein engineering efforts and the…

定量方法 · 定量生物学 2024-10-18 James Michels , Ramya Bandarupalli , Amin Ahangar Akbari , Thai Le , Hong Xiao , Jing Li , Erik F. Y. Hom

Decoding protein-protein interactions (PPIs) at the residue level is crucial for understanding cellular mechanisms and developing targeted therapeutics. We present Seq2Bind Webserver, a computational framework that leverages fine-tuned…

定量方法 · 定量生物学 2025-06-18 Xiang Ma , Supantha Dey , Vaishnavey SR , Casey Zelinski , Qi Li , Ratul Chowdhury

Motivation: Receptor-binding proteins (RBPs) initiate viral infection and determine host specificity, serving as key targets for phage engineering and therapy. However, the identification of RBPs is complicated by their extreme sequence…

基因组学 · 定量生物学 2026-03-17 Xiling Luo , Le Ou-Yang , Yang Shen , Jiaojiao Guan , Dehan Cai , Jun Zhang , Yanni Sun , Jiayu Shang

Statistical analysis of protein-protein interactions shows anomalously high frequency of homodimers [Ispolatov, I., et al. (2005) Nucleic Acids Res 33, 3629-35]. Furthermore, recent findings [Wright, C.F., et al. (2005) Nature 438, 878-81]…

生物大分子 · 定量生物学 2007-05-23 D. B. Lyjatsky , E. I. Shakhnovich

The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction methods rely on the topological and/or spatial structure of…

生物大分子 · 定量生物学 2022-09-28 Yang Zhang , Gengmo Zhou , Zhewei Wei , Hongteng Xu

Protein-Protein Interaction Networks aim to model the interactome, providing a powerful tool for understanding the complex relationships governing cellular processes. These networks have numerous applications, including functional…

分子网络 · 定量生物学 2023-10-05 Rodrigo Henrique Ramos , Cynthia de Oliveira Lage Ferreira , Adenilso Simao

Background Deriving feature rankings is essential in bioinformatics studies since the ordered features are important in guiding subsequent research. Feature rankings may be distorted by influential points (IP), but such effects are rarely…

应用统计 · 统计学 2023-03-21 Shuo Wang , Junyan Lu

Protein-protein interaction extraction is the key precondition of the construction of protein knowledge network, and it is very important for the research in the biomedicine. This paper extracted directional protein-protein interaction from…

计算与语言 · 计算机科学 2014-08-25 Peilei Liu , Ting Wang

In this paper, we consider the statistical analysis of a protein interaction network. We propose a Bayesian model that uses a hierarchy of probabilistic assumptions about the way proteins interact with one another in order to: (i) identify…

分子网络 · 定量生物学 2007-11-15 Edoardo M Airoldi , David M Blei , Stephen E Fienberg , Eric P Xing

Polynomial interpolation is an important component of many computational problems. In several of these computational problems, failure to preserve positivity when using polynomials to approximate or map data values between meshes can lead…

数值分析 · 数学 2025-05-01 Timbwaoga A. J. Ouermi , Robert M Kirby , Martin Berzins

Protein (receptor)--ligand interaction prediction is a critical component in computer-aided drug design, significantly influencing molecular docking and virtual screening processes. Despite the development of numerous scoring functions in…

生物大分子 · 定量生物学 2024-01-22 Haoyu Lin , Shiwei Wang , Jintao Zhu , Yibo Li , Jianfeng Pei , Luhua Lai

Identifying novel drug-target interactions (DTI) is a critical and rate limiting step in drug discovery. While deep learning models have been proposed to accelerate the identification process, we show that state-of-the-art models fail to…

Detecting statistical interactions between input features is a crucial and challenging task. Recent advances demonstrate that it is possible to extract learned interactions from trained neural networks. It has also been observed that, in…

机器学习 · 计算机科学 2020-11-05 Zirui Liu , Qingquan Song , Kaixiong Zhou , Ting Hsiang Wang , Ying Shan , Xia Hu

In high-throughput genetics studies, an important aim is to identify gene-environment interactions associated with the clinical outcomes. Recently, multiple marginal penalization methods have been developed and shown to be effective in…

统计方法学 · 统计学 2021-02-24 Xi Lu , Kun Fan , Jie Ren , Cen Wu

Understanding the molecular determinants of specificity in protein-protein interaction is an outstanding challenge of postgenome biology. The availability of large protein databases generated from sequences of hundreds of bacterial genomes…

生物大分子 · 定量生物学 2009-01-12 M. Weigt , R. A. White , H. Szurmant , J. A. Hoch , T. Hwa

The function of a protein is defined by its interaction partners. Thus, topology-driven network alignment of the protein-protein interaction (PPI) networks of two species should uncover similar interaction patterns and allow identification…

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

The relative spatial layout of a human and an object is an important cue for determining how they interact. However, until now, spatial layout has been used just as side-information for detecting human-object interactions (HOIs). In this…

计算机视觉与模式识别 · 计算机科学 2020-04-13 Ankan Bansal , Sai Saketh Rambhatla , Abhinav Shrivastava , Rama Chellappa

Automatically extracting Protein-Protein Interactions (PPI) from biomedical literature provides additional support for precision medicine efforts. This paper proposes a novel memory network-based model (MNM) for PPI extraction, which…

计算与语言 · 计算机科学 2020-01-08 Huiwei Zhou , Zhuang Liu , Shixian Ning , Yunlong Yang , Chengkun Lang , Yingyu Lin , Kun Ma

Protein interaction networks (PIN) are popular means to visualize the proteome. However, PIN datasets are known to be noisy, incomplete and biased by the experimental protocols used to detect protein interactions. This paper aims at…

无序系统与神经网络 · 物理学 2015-01-06 Alessia Annibale , Anthony C. C. Coolen , Nuria Planell-Morell