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Computational methods for predicting the interface contacts between proteins come highly sought after for drug discovery as they can significantly advance the accuracy of alternative approaches, such as protein-protein docking, protein…

机器学习 · 计算机科学 2022-03-08 Alex Morehead , Chen Chen , Jianlin Cheng

Here we present ComPPI, a cellular compartment specific database of proteins and their interactions enabling an extensive, compartmentalized protein-protein interaction network analysis (http://ComPPI.LinkGroup.hu). ComPPI enables the user…

Physical interactions between proteins are often difficult to decipher. The aim of this paper is to present an algorithm designed to recognize binding patches and supporting structural scaffolds of interacting heterodimer protein chains…

生物大分子 · 定量生物学 2016-09-22 Ognjen Perišić

Predicting interactions between proteins is one of the most important yet challenging problems in structural bioinformatics. Intrinsically, potential function sites in protein surfaces are determined by both geometric and chemical features.…

生物大分子 · 定量生物学 2024-01-19 Yiqun Lin , Liang Pan , Yi Li , Ziwei Liu , Xiaomeng Li

Ancestry-specific proteome-wide association studies (PWAS) based on genetically predicted protein expression can reveal complex disease etiology specific to certain ancestral groups. These studies require ancestry-specific models for…

应用统计 · 统计学 2024-04-26 Aaron J. Molstad , Yanwei Cai , Alexander P. Reiner , Charles Kooperberg , Wei Sun , Li Hsu

Screening traditionally refers to the problem of detecting active inputs in the computer model. In this paper, we develop methodology that applies to screening, but the main focus is on detecting active inputs not in the computer model…

统计计算 · 统计学 2024-02-20 Pierre Barbillon , Anabel Forte , Rui Paulo

Motivation: The biomedical literature contains a wealth of chemical-protein interactions (CPIs). Automatically extracting CPIs described in biomedical literature is essential for drug discovery, precision medicine, as well as basic…

计算与语言 · 计算机科学 2020-04-27 Cong Sun , Zhihao Yang , Leilei Su , Lei Wang , Yin Zhang , Hongfei Lin , Jian Wang

Forecasting accuracy in highly uncertain environments is challenging due to the stochastic nature of systems. Deterministic forecasting provides only point estimates and cannot capture potential outcomes. Therefore, probabilistic…

机器学习 · 计算机科学 2024-12-12 Worachit Amnuaypongsa , Jitkomut Songsiri

Proteins interact with other proteins within biological pathways, forming connected subgraphs in the protein-protein interactome (PPI). Proteins are often involved in multiple biological pathways which complicates interpretation of…

分子网络 · 定量生物学 2012-12-04 Sira Sriswasdi , Shane T. Jensen

The characterization of drug-protein interactions is crucial in the high-throughput screening for drug discovery. The deep learning-based approaches have attracted attention because they can predict drug-protein interactions without…

机器学习 · 计算机科学 2020-12-22 QHwan Kim , Joon-Hyuk Ko , Sunghoon Kim , Nojun Park , Wonho Jhe

Recommender and search systems commonly rely on Learning To Rank models trained on logged user interactions to order items by predicted relevance. However, such interaction data is often subject to position bias, as users are more likely to…

信息检索 · 计算机科学 2025-09-05 Aleksandr V. Petrov , Michael Murtagh , Karthik Nagesh

In a shotgun proteomics experiment, proteins are the most biologically meaningful output. The success of proteomics studies depends on the ability to accurately and efficiently identify proteins. Many methods have been proposed to…

定量方法 · 定量生物学 2012-11-30 Chao Yang , Zengyou He , Weichuan Yu

We study statistical properties of interacting protein-like surfaces and predict two strong, related effects: (i) statistically enhanced self-attraction of proteins; (ii) statistically enhanced attraction of proteins with similar…

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

Enhancer-promoter interactions (EPIs) regulate the expression of specific genes in cells, and EPIs are important for understanding gene regulation, cell differentiation and disease mechanisms. EPI identification through the wet experiments…

基因组学 · 定量生物学 2021-01-01 Shuai Liu , Xinran Xu , Zhihao Yang , Xiaohan Zhao , Wen Zhang

Protein-protein interactions (PPIs) perform important roles on biological functions. Researches of mutants on protein interactions can further understand PPIs. In the past, many researchers have developed databases that stored mutants on…

生物大分子 · 定量生物学 2017-08-08 Quanya Liu , Peng Chen , Bing Wang , Jinyan Li

Identification of antimicrobial peptides is an important and necessary issue in today's era. Antimicrobial peptides are essential as an alternative to antibiotics for biomedical applications and many other practical applications. These…

机器学习 · 计算机科学 2025-12-17 Reyhaneh Keshavarzpour , Eghbal Mansoori

Eukaryotic cells transmit information by signaling through complex networks of interacting proteins. Here we develop a theoretical and computational framework that relates the biophysics of protein-protein interactions (PPIs) within a…

分子网络 · 定量生物学 2018-11-26 Ching-Hao Wang , Caleb J. Bashor , Pankaj Mehta

Prediction-powered inference (PPI) enables valid statistical inference by combining experimental data with machine learning predictions. When a sufficient number of high-quality predictions is available, PPI results in more accurate…

机器学习 · 统计学 2025-08-18 Stefano Cortinovis , François Caron

We are interested in the problem of classifying Multivariate Hawkes Processes (MHP) paths coming from several classes. MHP form a versatile family of point processes that models interactions between connected individuals within a network.…

Deep neural networks excel at comprehending complex visual signals, delivering on par or even superior performance to that of human experts. However, ad-hoc visual explanations of model decisions often reveal an alarming level of reliance…

计算机视觉与模式识别 · 计算机科学 2021-05-03 Dong Wang , Yuewei Yang , Chenyang Tao , Zhe Gan , Liqun Chen , Fanjie Kong , Ricardo Henao , Lawrence Carin