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Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction.…

Machine Learning · Computer Science 2024-02-23 Lirong Wu , Yijun Tian , Yufei Huang , Siyuan Li , Haitao Lin , Nitesh V Chawla , Stan Z. Li

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

Cellular functions are based on the complex interplay of proteins, therefore the structure and dynamics of these protein-protein interaction (PPI) networks are the key to the functional understanding of cells. In the last years, large-scale…

Molecular Networks · Quantitative Biology 2013-03-27 Yuliang Jin , Dmitrij Turaev , Thomas Weinmaier , Thomas Rattei , Hernan A. Makse

Eukaryotic cells transmit information by signaling through complex networks of interacting proteins. Here we develop a theoretical and computational framework that relates the biophysics of protein-protein interactions (PPIs) within a…

Molecular Networks · Quantitative Biology 2018-11-26 Ching-Hao Wang , Caleb J. Bashor , Pankaj Mehta

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

We present a novel dual-head deep learning architecture for protein-protein interaction modeling that enables simultaneous prediction of binding affinity ($\Delta G$) and mutation-induced affinity changes ($\Delta\Delta G$) using only…

Quantitative Methods · Quantitative Biology 2025-09-30 Supantha Dey , Ratul Chowdhury

The study of multi-type Protein-Protein Interaction (PPI) is fundamental for understanding biological processes from a systematic perspective and revealing disease mechanisms. Existing methods suffer from significant performance degradation…

Machine Learning · Computer Science 2021-06-02 Guofeng Lv , Zhiqiang Hu , Yanguang Bi , Shaoting Zhang

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

External information propagates in the cell mainly through signaling cascades and transcriptional activation, allowing it to react to a wide spectrum of environmental changes. High throughput experiments identify numerous molecular…

Molecular Networks · Quantitative Biology 2011-01-25 M. Bailly-Bechet , C. Borgs , A. Braunstein , J. Chayes , A. Dagkessamanskaia , J. -M. François , R. Zecchina

The proper biological functioning of proteins often relies on the occurrence of coordinated fluctuations around their native structure, or of wider and sometimes highly elaborated motions. Coarse-grained elastic-network descriptions are…

Biomolecules · Quantitative Biology 2013-10-17 Yves Dehouck , Alexander S. Mikhailov

Knowing the location of a protein within the cell is important for understanding its function, role in biological processes, and potential use as a drug target. Much progress has been made in developing computational methods that predict…

Quantitative Methods · Quantitative Biology 2013-08-02 Ramanuja Simha , Hagit Shatkay

Protein-RNA interactions are of vital importance to a variety of cellular activities. Both experimental and computational techniques have been developed to study the interactions. Due to the limitation of the previous database, especially…

Biomolecules · Quantitative Biology 2021-11-24 Junkang Wei , Siyuan Chen , Licheng Zong , Xin Gao , Yu Li

The sequence of amino acids in a protein is believed to determine its native state structure, which in turn is related to the functionality of the protein. In addition, information pertaining to evolutionary relationships is contained in…

Quantitative Methods · Quantitative Biology 2008-06-17 Kyung Dae Ko , Yoojin Hong , Gue Su Chang , Gaurav Bhardwaj , Damian B. van Rossum , Randen L. Patterson

Statistical models for families of evolutionary related proteins have recently gained interest: in particular pairwise Potts models, as those inferred by the Direct-Coupling Analysis, have been able to extract information about the…

Biomolecules · Quantitative Biology 2019-09-25 Kai Shimagaki , Martin Weigt

Mapping between sequence and structure is currently an open problem in structural biology. Despite many experimental and computational efforts it is not clear yet how the structure is encoded in the sequence. Answering this question may…

Biomolecules · Quantitative Biology 2013-10-08 Iddo Friedberg

Detecting feature interactions is imperative for accurately predicting performance of highly-configurable systems. State-of-the-art performance prediction techniques rely on supervised machine learning for detecting feature interactions,…

Software Engineering · Computer Science 2018-01-23 Sergiy Kolesnikov , Norbert Siegmund , Christian Kästner , Sven Apel

Feature selection can efficiently identify the most informative features with respect to the target feature used in training. However, state-of-the-art vector-based methods are unable to encapsulate the relationships between feature samples…

Machine Learning · Computer Science 2018-09-11 Lixin Cui , Lu Bai , Zhihong Zhang , Yue Wang , Edwin R. Hancock

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

Enzymatic molecules that actively support many cellular processes, including transport, cell division and cell motility, are known as motor proteins or molecular motors. Experimental studies indicate that they interact with each other and…

Biological Physics · Physics 2015-05-20 Daniel Celis-Garza , Hamid Teimouri , Anatoly B. Kolomeisky

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

Quantitative Methods · Quantitative Biology 2018-07-23 X. Han , X. Wang , K. Zhou