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Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

We present a simple model for the underlying structure of protein-protein pairwise interaction graphs that is based on the way in which proteins attach to each other in experiments such as yeast two-hybrid assays. We show that data on the…

Molecular Networks · Quantitative Biology 2007-05-23 Alun Thomas , Rob Cannings , Nicholas A. M. Monk , Chris Cannings

Protein-protein interactions (PPIs) are crucial in various biological processes and their study has significant implications for drug development and disease diagnosis. Existing deep learning methods suffer from significant performance…

Molecular Networks · Quantitative Biology 2023-05-16 Ziyuan Zhao , Peisheng Qian , Xulei Yang , Zeng Zeng , Cuntai Guan , Wai Leong Tam , Xiaoli Li

The worldwide surge of multiresistant microbial strains has propelled the search for alternative treatment options. The study of Protein-Protein Interactions (PPIs) has been a cornerstone in the clarification of complex physiological and…

Protein-protein interactions (PPIs) are governed by surface complementarity and hydrophobic interactions at protein interfaces. However, designing diverse and physically realistic protein structure and surfaces that precisely complement…

Machine Learning · Computer Science 2025-11-24 Guanlue Li , Xufeng Zhao , Fang Wu , Sören Laue

Computational protein-protein interaction (PPI) prediction techniques can contribute greatly in reducing time, cost and false-positive interactions compared to experimental approaches. Sequence is one of the key and primary information of…

Machine Learning · Computer Science 2022-03-29 Soumyadeep Debnath , Ayatullah Faruk Mollah

The architecture of the network of protein-protein physical interactions in Saccharomyces cerevisiae is exposed through the combination of two complementary theoretical network measures, betweenness centrality and `Q-modularity'. The yeast…

Molecular Networks · Quantitative Biology 2009-09-29 Andre X. C. N. Valente , Michael E. Cusick

Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to encode for such functions is controlled by the balance…

Biomolecules · Quantitative Biology 2018-05-24 A. Possenti , M. Vendruscolo , C. Camilloni , G. Tiana

Introduction Accurate prediction of protein-protein interactions (PPIs) is crucial for understanding cellular functions and advancing drug development. Existing in-silico methods use direct sequence embeddings from Protein Language Models…

Machine Learning · Computer Science 2025-10-17 Islam Akef Ebeid , Haoteng Tang , Pengfei Gu

Predicting protein-protein interactions from sequences is an important goal of computational biology. Various sources of information can be used to this end. Starting from the sequences of two interacting protein families, one can use…

Biomolecules · Quantitative Biology 2023-04-26 Carlos A. Gandarilla-Perez , Sergio Pinilla , Anne-Florence Bitbol , Martin Weigt

While most studies emphasize on certain aspects of Pathogen-Host Interactions (PHI), such as the preferential attachment of bacteria or virus to its human receptor homolog, studies have attempted to methodically classify interactions among…

Molecular Networks · Quantitative Biology 2016-09-13 S. Chatterjee , B. S. Sanjeev

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

Protein-protein interaction (PPI) prediction is an important problem in machine learning and computational biology. However, there is no data set for training or evaluation purposes, where all the instances are accurately labeled. Instead,…

Artificial Intelligence · Computer Science 2015-09-21 Haohan Wang , Madhavi K. Ganapathiraju

Accurate systems for extracting Protein-Protein Interactions (PPIs) automatically from biomedical articles can help accelerate biomedical research. Biomedical Informatics researchers are collaborating to provide metaservices and advance the…

Computation and Language · Computer Science 2010-03-18 Siddhartha Jonnalagadda , Graciela Gonzalez

All living systems can function only far away from equilibrium, and for this reason chemical kinetic methods are critically important for uncovering the mechanisms of biological processes. Here we present a new theoretical method of…

Subcellular Processes · Quantitative Biology 2018-04-27 Maria P. Kochugaeva , Alexey A. Shvets , Anatoly B. Kolomeisky

We introduce a new, simplified model of proteins, which we call protein metastructure. The metastructure of a protein carries information about its secondary structure and $\beta$-strand conformations. Furthermore, protein metastructure…

Biomolecules · Quantitative Biology 2021-11-30 Jørgen Ellegaard Andersen , Hiroyuki Fuji , Yuki Koyanagi

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

Aberrant protein-protein interactions (PPIs) underpin a plethora of human diseases, and disruption of these harmful interactions constitute a compelling treatment avenue. Advances in computational approaches to PPI prediction have closely…

Biomolecules · Quantitative Biology 2025-07-29 François Charih , James R. Green , Kyle K. Biggar

Topological analysis of large scale protein-protein interaction networks (PINs) is important for understanding the organisational and functional principles of individual proteins. The number of interactions that a protein has in a PIN has…

Molecular Networks · Quantitative Biology 2013-04-02 Ernesto Estrada

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
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