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Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

Biomolecules · Quantitative Biology 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over…

Applications · Statistics 2015-01-19 Abel Rodriguez , Scott C. Schmidler

Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Machine Learning · Computer Science 2025-08-18 Sanket Jantre , Tianle Wang , Gilchan Park , Kriti Chopra , Nicholas Jeon , Xiaoning Qian , Nathan M. Urban , Byung-Jun Yoon

Protein-protein interactions (PPIs) are critical to normal cellular function and are related to many disease pathways. However, only 4% of PPIs are annotated with PTMs in biological knowledge databases such as IntAct, mainly performed…

Machine Learning · Computer Science 2022-01-10 Aparna Elangovan , Yuan Li , Douglas E. V. Pires , Melissa J. Davis , Karin Verspoor

Background: Coevolution within a protein family is often predicted using statistics that measure the degree of covariation between positions in the protein sequence. Mutual Information is a measure of dependence between two random variables…

Populations and Evolution · Quantitative Biology 2013-04-17 Russell J. Dickson , Gregory B. Gloor

The budding yeast {\it Saccharomyces cerevisiae} is the first eukaryote whose genome has been completely sequenced. It is also the first eukaryotic cell whose proteome (the set of all proteins) and interactome (the network of all mutual…

Disordered Systems and Neural Networks · Physics 2009-11-10 A. R. Mashaghi , A. Ramezanpour , V. Karimipour

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…

Molecular Networks · Quantitative Biology 2022-08-29 Siyue Wang , Xiaoyin Chen , Brent J. Frederisy , Benedict A. Mbakogu , Amy D. Kanne , Pasha Khosravi , Wayne B. Hayes

Inferring protein-protein interactions from sequences is an important task in computational biology. Recent methods based on Direct Coupling Analysis (DCA) or Mutual Information (MI) allow to find interaction partners among paralogs of two…

Biomolecules · Quantitative Biology 2022-05-19 Andonis Gerardos , Nicola Dietler , Anne-Florence Bitbol

Compound-Protein Interaction (CPI) prediction aims to predict the pattern and strength of compound-protein interactions for rational drug discovery. Existing deep learning-based methods utilize only the single modality of protein sequences…

Biomolecules · Quantitative Biology 2024-02-14 Lirong Wu , Yufei Huang , Cheng Tan , Zhangyang Gao , Bozhen Hu , Haitao Lin , Zicheng Liu , Stan Z. Li

Determining which proteins interact together is crucial to a systems-level understanding of the cell. Recently, algorithms based on Direct Coupling Analysis (DCA) pairwise maximum-entropy models have allowed to identify interaction partners…

Biomolecules · Quantitative Biology 2020-03-25 Guillaume Marmier , Martin Weigt , Anne-Florence Bitbol

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…

Disordered Systems and Neural Networks · Physics 2015-01-06 Alessia Annibale , Anthony C. C. Coolen , Nuria Planell-Morell

Recent studies uncovered important core/periphery network structures characterizing complex sets of cooperative and competitive interactions between network nodes, be they proteins, cells, species or humans. Better characterization of the…

Physics and Society · Physics 2013-12-03 Peter Csermely , Andras London , Ling-Yun Wu , Brian Uzzi

The identification of essential proteins can help in understanding the minimum requirements for cell survival and development. Network-based centrality approaches are commonly used to identify essential proteins from protein-protein…

Computational Engineering, Finance, and Science · Computer Science 2023-11-13 Li Pan , Haoyue Wang , Jing Sun , Bin Li , Bo Yang , Wenbin Li

Dendrograms are a way to represent evolutionary relationships between organisms. Nowadays, these are inferred based on the comparison of genes or protein sequences by taking into account their differences and similarities. The genetic…

Molecular Networks · Quantitative Biology 2019-09-09 Daniel Gamermann , Arnau Montagud , J. Alberto Conejero , Pedro Fernández de Córdoba , Javier F. Urchueguía

Protein structure prediction remains a challenge in the field of computational biology. Traditional protein structure prediction approaches include template-based modelling (say, homology modelling, and threading), and ab initio. A…

Other Quantitative Biology · Quantitative Biology 2015-07-14 Jianwei Zhu , Haicang Zhang , Chao Wang , Bin Ling , Wei-Mou Zheng , Dongbo Bu

One of the most difficult problems difficult problem in systems biology is to discover protein-protein interactions as well as their associated functions. The analysis and alignment of protein-protein interaction networks (PPIN), which are…

Molecular Networks · Quantitative Biology 2019-02-20 Ricardo Alberich , Adrià Alcala , Mercè Llabrés , Francesc Rosselló , Gabriel Valiente

Identification and characterization of large protein complexes is a mainstay of biochemical toolboxes. Utilization of cross-linking chemicals can facilitate the capture and identification of transient or weak interactions of a transient…

Molecular Networks · Quantitative Biology 2016-06-15 Timothy D. Cummins , Gopal P. Sapkota

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…

Genomics · Quantitative Biology 2021-02-23 Maddalena Dilucca , Giulio Cimini , Sergio Forcelloni , Andrea Giansanti

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…

Genomics · Quantitative Biology 2007-05-23 Iaroslav Ispolatov , Anton Yuryev , Ilya Mazo , Sergei Maslov

The properties of certain networks are determined by hidden variables that are not explicitly measured. The conditional probability (propagator) that a vertex with a given value of the hidden variable is connected to k of other vertices…

Quantitative Methods · Quantitative Biology 2009-11-13 Gerald A. Miller , Yi Y. Shi , Hong Qian , Karol Bomsztyk