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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

We use a semisupervised learning algorithm based on a topological data analysis approach to assign functional categories to yeast proteins using similarity graphs. This new approach to analyzing biological networks yields results that are…

Computational Engineering, Finance, and Science · Computer Science 2014-08-26 R. Sean Bowman , Douglas Heisterkamp , Jesse Johnson , Danielle O'Donnol

Protein-protein interaction (PPI) extraction from published scientific literature provides additional support for precision medicine efforts. Meanwhile, knowledge bases (KBs) contain huge amounts of structured information of protein…

Computation and Language · Computer Science 2019-12-12 Huiwei Zhou , Xuefei Li , Weihong Yao , Zhuang Liu , Shixian Ning , Chengkun Lang , Lei Du

Protein-protein interaction (PPI) modeling has been widely studied as a binary or multi-label classification task. While emerging multimodal large language models (LLMs) can now describe single proteins, they remain unable to generate…

Computational Engineering, Finance, and Science · Computer Science 2026-05-12 Xiao Fei , Sarah Almeida Carneiro , Yang Zhang , Lawrence P. Petalidis , Achilleas Tsortos , Costas Bouyioukos , Michalis Vazirgiannis

Network Science provides a universal formalism for modelling and studying complex systems based on pairwise interactions between agents. However, many real networks in the social, biological or computer sciences involve interactions among…

Social and Information Networks · Computer Science 2020-06-24 Daniel Hernández Serrano , Juan Hernández Serrano , Darío Sánchez Gómez

Most complex systems can be captured by graphs or networks. Networks connect nodes (e.g.\ neurons) through edges (synapses), thus summarizing the system's structure. A popular way of interrogating graphs is community detection, which…

Physics and Society · Physics 2024-09-23 Luis F Seoane

Simplicial complexes constitute the underlying topology of interacting complex systems including among the others brain and social interaction networks. They are generalized network structures that allow to go beyond the framework of…

Disordered Systems and Neural Networks · Physics 2020-06-02 Joaquín J. Torres , Ginestra Bianconi

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.…

Biomolecules · Quantitative Biology 2024-01-19 Yiqun Lin , Liang Pan , Yi Li , Ziwei Liu , Xiaomeng Li

Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the multimer structure prediction~(MSP) can be well handled in a…

Computational Engineering, Finance, and Science · Computer Science 2024-03-01 Ziqi Gao , Xiangguo Sun , Zijing Liu , Yu Li , Hong Cheng , Jia Li

Initial protein structural comparisons were sequence-based. Since amino acids that are distant in the sequence can be close in the 3-dimensional (3D) structure, 3D contact approaches can complement sequence approaches. Traditional 3D…

Molecular Networks · Quantitative Biology 2017-03-01 Fazle E. Faisal , Julie L. Chaney , Khalique Newaz , Jun Li , Scott J. Emrich , Patricia L. Clark , Tijana Milenkovic

The use of graph centrality measures applied to biological networks, such as protein interaction networks, underpins much research into identifying key players within biological processes. This approach however is restricted to dyadic…

Quantitative Methods · Quantitative Biology 2024-10-24 Sarah Lawson , Diane Donovan , James Lefevre

Protein-protein interactions (protein functionalities) are mediated by water, which compacts individual proteins and promotes close and temporarily stable large-area protein-protein interfaces. Proteins are peptide chains decorated by amino…

Soft Condensed Matter · Physics 2008-02-26 J. C. Phillips

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…

Computation and Language · Computer Science 2020-01-08 Huiwei Zhou , Zhuang Liu , Shixian Ning , Yunlong Yang , Chengkun Lang , Yingyu Lin , Kun Ma

Predicting molecule-protein interactions (MPIs) is a fundamental task in computational biology, with crucial applications in drug discovery and molecular function annotation. However, existing MPI models face two major challenges. First,…

Machine Learning · Computer Science 2025-12-11 Jiayu Qin , Zhengquan Luo , Guy Tadmor , Changyou Chen , David Zeevi , Zhiqiang Xu

We introduce a new model of proteins, which extends and enhances the traditional graphical representation by associating a combinatorial object called a fatgraph to any protein based upon its intrinsic geometry. Fatgraphs can easily be…

Biomolecules · Quantitative Biology 2009-05-30 R. C. Penner , Michael Knudsen , Carsten Wiuf , Joergen Ellegaard Andersen

In the field of urban planning, road network system planning is often the first step and the main purpose of urban planning is to create a spatial configuration of different functions such as residence, education, business, etc. Generally…

Physics and Society · Physics 2022-11-04 Huidan Xiao , Tao Yang

The increasing interest in complex networks research has been a consequence of several intrinsic features of this area, such as the generality of the approach to represent and model virtually any discrete system, and the incorporation of…

Protein-protein interactions (PPIs) are critical for various biological processes, and understanding their dynamics is essential for decoding molecular mechanisms and advancing fields such as cancer research and drug discovery. Mutations in…

Biomolecules · Quantitative Biology 2023-09-26 Md Masud Rana , Duc Duy Nguyen

Protein-protein interactions are of great importance in biochemical processes. Accurate prediction of protein-protein interaction sites (PPIs) is crucial for our understanding of biological mechanism. Although numerous approaches have been…

Quantitative Methods · Quantitative Biology 2023-09-26 Jiaxing Guo , Xuening Zhu , Zixin Hu , Xiaoxi Hu

In many networks, including networks of protein-protein interactions, interdisciplinary collaboration networks, and semantic networks, connections are established between nodes with complementary rather than similar properties. While…

Physics and Society · Physics 2023-03-08 Gabriel Budel , Maksim Kitsak