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Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Protein-protein interaction (PPI) networks provide valuable insights into the function of biological systems, and aligning multiple PPI networks can reveal important functional relationships between different species. However, assessing the…

Molecular Networks · Quantitative Biology 2024-08-02 Reza Mousapour , Kimia Yazdani , Wayne B. Hayes

Detection of protein-protein interactions (PPIs) plays a vital role in molecular biology. Particularly, infections are caused by the interactions of host and pathogen proteins. It is important to identify host-pathogen interactions (HPIs)…

Machine Learning · Computer Science 2019-03-26 Abdul Hannan Basit , Wajid Arshad Abbasi , Amina Asif , Fayyaz Ul Amir Afsar Minhas

In this paper, we consider the problem of exploring structural regularities of networks by dividing the nodes of a network into groups such that the members of each group have similar patterns of connections to other groups. Specifically,…

Physics and Society · Physics 2015-05-30 Hua-Wei Shen , Xue-Qi Cheng , Jia-Feng Guo

The evolution of complex networks is governed by both growing rules and internal properties. Most evolving network models (e.g. preferential attachment) emphasize on the growing strategy, while neglecting the characteristics of individual…

Social and Information Networks · Computer Science 2020-05-07 Dong Chen , Hong Yu

Graph neural networks (GNNs) have shown promise in integrating protein-protein interaction (PPI) networks for identifying cancer genes in recent studies. However, due to the insufficient modeling of the biological information in PPI…

Computational Engineering, Finance, and Science · Computer Science 2025-06-24 Yilong Zang , Lingfei Ren , Yue Li , Zhikang Wang , David Antony Selby , Zheng Wang , Sebastian Josef Vollmer , Hongzhi Yin , Jiangning Song , Junhang Wu

Many real world systems need to operate on heterogeneous information networks that consist of numerous interacting components of different types. Examples include systems that perform data analysis on biological information networks; social…

Artificial Intelligence · Computer Science 2017-07-26 Parisa Kordjamshidi , Sameer Singh , Daniel Khashabi , Christos Christodoulopoulos , Mark Summons , Saurabh Sinha , Dan Roth

Retrieving the biological impacts of protein-protein interactions (PPIs) is essential for target identification (Target ID) in drug development. Given the vast number of proteins involved, this process remains time-consuming and…

Computation and Language · Computer Science 2025-06-02 Youngseung Jeon , Ziwen Li , Thomas Li , JiaSyuan Chang , Morteza Ziyadi , Xiang 'Anthony' Chen

With the advent of high-throughput wet lab technologies the amount of protein interaction data available publicly has increased substantially, in turn spurring a plethora of computational methods for in silico knowledge discovery from this…

Molecular Networks · Quantitative Biology 2015-05-06 Sriganesh Srihari , Hon Wai Leong

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

Modeling the behavior of coupled networks is challenging due to their intricate dynamics. For example in neuroscience, it is of critical importance to understand the relationship between the functional neural processes and anatomical…

Machine Learning · Computer Science 2021-04-20 Hongyuan You , Sikun Lin , Ambuj K. Singh

An efficient structural identifiability analysis algorithm is developed in this study for a broad range of network structures. The proposed method adopts the Wright's path coefficient method to generate identifiability equations in forms of…

Molecular Networks · Quantitative Biology 2017-08-25 Yulin Wang , Na Lu , Hongyu Miao

Recently, there has been increased interest in fusing multimodal imaging to better understand brain organization. Specifically, accounting for knowledge of anatomical pathways connecting brain regions should lead to desirable outcomes such…

Applications · Statistics 2018-03-02 Ixavier A. Higgins , Suprateek Kundu , Ying Guo

Increased ability to predict protein structures is moving research focus towards understanding protein dynamics. A promising approach is to represent protein dynamics through networks and take advantage of well-developed methods from…

Molecular Networks · Quantitative Biology 2022-03-17 Jenny Liu , Sinan Keten , Luis A. N. Amaral

We present a model, based on symmetry and geometry, for proteins. Using elementary ideas from mathematics and physics, we derive the geometries of discrete helices and sheets. We postulate a compatible solvent-mediated emergent pairwise…

Soft Condensed Matter · Physics 2023-06-21 Jayanth R. Banavar , Achille Giacometti , Trinh X. Hoang , Amos Maritan , Tatjana Škrbić

Recent genomic and bioinformatic advances have motivated the development of numerous random network models purporting to describe graphs of biological, technological, and sociological origin. The success of a model has been evaluated by how…

Molecular Networks · Quantitative Biology 2007-05-23 Manuel Middendorf , Etay Ziv , Carter Adams , Jen Hom , Robin Koytcheff , Chaya Levovitz , Gregory Woods , Linda Chen , Chris Wiggins

Naturally occurring networks exhibit quantitative features revealing underlying growth mechanisms. Numerous network mechanisms have recently been proposed to reproduce specific properties such as degree distributions or clustering…

Quantitative Methods · Quantitative Biology 2009-11-10 Manuel Middendorf , Etay Ziv , Chris Wiggins

Represented as graphs, real networks are intricate combinations of order and disorder. Fixing some of the structural properties of network models to their values observed in real networks, many other properties appear as statistical…

A goal of computational studies of protein-protein interfaces (PPIs) is to predict the binding site between two monomers that form a heterodimer. The simplest version of this problem is to rigidly re-dock the bound forms of the monomers,…

Biomolecules · Quantitative Biology 2026-01-08 Jacob Sumner , Grace Meng , Naomi Brandt , Alex T. Grigas , Andrés Córdoba , Mark D. Shattuck , Corey S. O'Hern

So far, many network-structure-based link prediction methods have been proposed. However, these methods only highlight one or two structural features of networks, and then use the methods to predict missing links in different networks. The…

Physics and Society · Physics 2017-09-01 Chuang Ma , Zhong-Kui Bao , Hai-Feng Zhang
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