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Cellular function is widely believed to be organized in a modular fashion. On all scales and at all levels of complexity, relatively independent sub-units perform relatively independent sub-tasks of biological function. This functional…

Molecular Networks · Quantitative Biology 2010-12-22 Stefan Pinkert , Joerg Schultz , Joerg Reichardt

Protein structure prediction is a challenging and unsolved problem in computer science. Proteins are the sequence of amino acids connected together by single peptide bond. The combinations of the twenty primary amino acids are the…

Computational Engineering, Finance, and Science · Computer Science 2015-10-12 Mahmood A. Rashid , Firas Khatib , Abdul Sattar

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

Understanding the molecular determinants of specificity in protein-protein interaction is an outstanding challenge of postgenome biology. The availability of large protein databases generated from sequences of hundreds of bacterial genomes…

Biomolecules · Quantitative Biology 2009-01-12 M. Weigt , R. A. White , H. Szurmant , J. A. Hoch , T. Hwa

Here we present ComPPI, a cellular compartment specific database of proteins and their interactions enabling an extensive, compartmentalized protein-protein interaction network analysis (http://ComPPI.LinkGroup.hu). ComPPI enables the user…

Molecular Networks · Quantitative Biology 2015-01-14 Daniel V. Veres , David M. Gyurko , Benedek Thaler , Kristof Z. Szalay , David Fazekas , Tamas Korcsmaros , Peter Csermely

Protein-protein interaction networks associated with diseases have gained prominence as an area of research. We investigate algebraic and topological indices for protein-protein interaction networks of 11 human cancers derived from the…

Molecular Networks · Quantitative Biology 2014-05-08 Peter Hinow , Edward A. Rietman , Jack A. Tuszynski

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

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

Protein can be represented by amino acid interaction network. This network is a graph whose vertices are the proteins amino acids and whose edges are the interactions between them. This interaction network is the first step of proteins…

Computational Engineering, Finance, and Science · Computer Science 2014-01-16 Md. Shiplu Hawlader , Saifuddin Md. Tareeq

Recent advances in AI for science have highlighted the power of contrastive learning in bridging heterogeneous biological data modalities. Building on this paradigm, we propose HIPPO (HIerarchical Protein-Protein interaction prediction…

Machine Learning · Computer Science 2025-08-05 Shiyi Liu , Buwen Liang , Yuetong Fang , Zixuan Jiang , Renjing Xu

Proteins play crucial roles in every cellular process by interacting with each other, with nucleic acids, metabolites, and other molecules. The resulting assemblies can be very large and intricate and pose challenges to experimental…

Biomolecules · Quantitative Biology 2021-03-16 Charlotte W. van Noort , Rodrigo V. Honorato , Alexandre M. J. J. Bonvin

Close human-robot cooperation is a key enabler for new developments in advanced manufacturing and assistive applications. Close cooperation require robots that can predict human actions and intent, and understand human non-verbal cues.…

Human-Computer Interaction · Computer Science 2019-02-19 Paul Schydlo , Mirko Rakovic , Lorenzo Jamone , José Santos-Victor

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

Signaling pathways are responsible for the regulation of cell processes, such as monitoring the external environment, transmitting information across membranes, and making cell fate decisions. Given the increasing amount of biological data…

Molecular Networks · Quantitative Biology 2020-04-07 Daniel Inostroza , Cecilia Hernández , Diego Seco , Gonzalo Navarro , Alvaro Olivera-Nappa

The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction methods rely on the topological and/or spatial structure of…

Biomolecules · Quantitative Biology 2022-09-28 Yang Zhang , Gengmo Zhou , Zhewei Wei , Hongteng Xu

How do living cells achieve sufficient abundances of functional protein complexes while minimizing promiscuous non-functional interactions? Here we study this problem using a first-principle model of the cell whose phenotypic traits are…

Biomolecules · Quantitative Biology 2011-01-04 Muyoung Heo , Sergei Maslov , Eugene I. Shakhnovich

Protein-ligand interactions (PLIs) are fundamental to biochemical research and their identification is crucial for estimating biophysical and biochemical properties for rational therapeutic design. Currently, experimental characterization…

Machine Learning · Statistics 2021-12-01 Carter Knutson , Mridula Bontha , Jenna A. Bilbrey , Neeraj Kumar

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

We explore the interplay between the protein-protein interactions network and the expression of the interacting proteins. It is shown that interacting proteins are expressed in significantly more similar cellular concentrations. This is…

Molecular Networks · Quantitative Biology 2007-05-23 Shai Carmi , Erez Y. Levanon , Shlomo Havlin , Eli Eisenberg
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