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Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

计算工程、金融与科学 · 计算机科学 2015-10-21 Jianzhu Ma

Protein contacts provide key information for the understanding of protein structure and function, and therefore contact prediction from sequences is an important problem. Recent research shows that some correctly predicted long-range…

定量方法 · 定量生物学 2020-09-02 Siqi Sun

Because protein-protein interactions (PPIs) are crucial to understand living systems, harvesting these data is essential to probe disease development and discern gene/protein functions and biological processes. Some curated datasets contain…

生物大分子 · 定量生物学 2024-03-12 Gilchan Park , Sean McCorkle , Carlos Soto , Ian Blaby , Shinjae Yoo

Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the…

生物大分子 · 定量生物学 2024-02-07 Chenqing Hua , Connor Coley , Guy Wolf , Doina Precup , Shuangjia Zheng

We demonstrate that Protein-Protein Interaction (PPI) networks in several eucaryotic organisms contain significantly more self-interacting proteins than expected if such homodimers randomly appeared in the course of the evolution. We also…

基因组学 · 定量生物学 2007-05-23 Iaroslav Ispolatov , Anton Yuryev , Ilya Mazo , Sergei Maslov

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence…

生物大分子 · 定量生物学 2024-12-30 Umberto Lupo , Damiano Sgarbossa , Anne-Florence Bitbol

Function of proteins or a network of interacting proteins often involves communication between residues that are well separated in sequence. The classic example is the participation of distant residues in allosteric regulation.…

生物大分子 · 定量生物学 2007-05-23 Ruxandra I. Dima , D. Thirumalai

Co-evolution is a powerful problem-solving approach. However, fitness evaluation in co-evolutionary algorithms can be computationally expensive, as the quality of an individual in one population is defined by its interactions with many (or…

神经与进化计算 · 计算机科学 2024-04-11 Jack Garbus , Thomas Willkens , Alexander Lalejini , Jordan Pollack

Proteins play crucial roles in every cellular process by interacting with each other, with nucleic acids, metabolites, and other molecules. The resulting assemblies can be very large and intricate and pose challenges to experimental…

生物大分子 · 定量生物学 2021-03-16 Charlotte W. van Noort , Rodrigo V. Honorato , Alexandre M. J. J. Bonvin

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

Many non-coding RNAs are known to play a role in the cell directly linked to their structure. Structure prediction based on the sole sequence is however a challenging task. On the other hand, thanks to the low cost of sequencing…

定量方法 · 定量生物学 2020-05-05 Francesca Cuturello , Guido Tiana , Giovanni Bussi

We study the correlation between the codon usage bias of genetic sequences and the network features of protein-protein interaction (PPI) in bacterial species. We use PCA techniques in the space of codon bias indices to show that genes with…

基因组学 · 定量生物学 2021-02-23 Maddalena Dilucca , Giulio Cimini , Sergio Forcelloni , Andrea Giansanti

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

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability…

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

生物大分子 · 定量生物学 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Identifying interacting partners from two sets of protein sequences has important applications in computational biology. Interacting partners share similarities across species due to their common evolutionary history, and feature…

生物大分子 · 定量生物学 2024-12-31 Umberto Lupo , Damiano Sgarbossa , Martina Milighetti , Anne-Florence Bitbol

Correlation patterns in multiple sequence alignments of homologous proteins can be exploited to infer information on the three-dimensional structure of their members. The typical pipeline to address this task, which we in this paper refer…

生物大分子 · 定量生物学 2015-06-18 Christoph Feinauer , Marcin J. Skwark , Andrea Pagnani , Erik Aurell

The phenotype of any organism on earth is, in large part, the consequence of interplay between numerous gene products encoded in the genome, and such interplay between gene products affects the evolutionary fate of the genome itself through…

分子网络 · 定量生物学 2012-01-04 Pan-Jun Kim , Nathan D. Price

Identifying undocumented or potential future interactions among species is a challenge facing modern ecologists. Recent link prediction methods rely on trait data, however large species interaction databases are typically sparse and…

应用统计 · 统计学 2019-09-23 Mohamad Elmasri , Maxwell J. Farrell , T. Jonathan Davies , David A. Stephens

Studying evolutionary correlations in alignments of homologous sequences by means of an inverse Potts model has proven useful to obtain residue-residue contact energies and to predict contacts in proteins. The quality of the results depend…

生物大分子 · 定量生物学 2019-09-04 G. Franco , M. Cagiada , G. Bussi , G. Tiana