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Intracellular signaling often arises from ligand-induced oligomerization of cell surface receptors. This oligomerization or clustering process is fundamentally a cooperative behavior between near-neighbor receptor molecules; the properties…

Soft Condensed Matter · Physics 2009-10-31 Chinlin Guo , Herbert Levine

G protein-coupled receptors (GPCRs) constitute a large family of receptor proteins that sense molecular signals on the exterior of a cell and activate signal transduction pathways within the cell. Modeling how an agonist activates such a…

Biological Physics · Physics 2015-05-12 Ross D. Hoehn , David Nichols , Hartmut Neven , Sabre Kais

Dynamics and functions of G-protein coupled receptors (GPCRs) are accurately regulated by the type of ligands that bind to the orthosteric or allosteric binding sites. To glean the structural and dynamical origin of ligand-dependent…

Biomolecules · Quantitative Biology 2016-12-28 Yoonji Lee , Sun Choi , Changbong Hyeon

G protein-coupled receptors (GPCRs) govern diverse physiological processes and are central to modern pharmacology. Yet discovering GPCR modulators remains challenging because receptor activation often arises from complex allosteric effects…

Machine Learning · Computer Science 2026-02-03 Jingjie Ning , Xiangzhen Shen , Li Hou , Shiyi Shen , Jiahao Yang , Junrui Li , Hong Shan , Sanan Wu , Sihan Gao , H. Eric Xu , Xinheng He

G-protein-coupled receptors (GPCRs) are central to cellular information processing, yet the physical principles governing their switching behavior remain incompletely understood. We present a first principles theoretical framework, grounded…

Molecular Networks · Quantitative Biology 2026-01-21 Roger D. Jones , Achille Giacometti , Alan M. Jones

Astrocytes express a large variety of G~protein-coupled receptors (GPCRs) which mediate the transduction of extracellular signals into intracellular calcium responses. This transduction is provided by a complex network of biochemical…

Subcellular Processes · Quantitative Biology 2018-01-23 Maurizio De Pittà , Eshel Ben-Jacob , Hugues Berry

G protein-coupled receptors (GPCRs) represent a diverse and vital family of membrane proteins that mediate intracellular signaling in response to extracellular stimuli, playing critical roles in physiology and disease. Traditionally…

Biological Physics · Physics 2025-06-04 Aakanksha J Shetty , Alexei Sirbu , Paolo Annibale

G-protein coupled receptors (GPCRs), a major gatekeeper of extracellular signals on plasma membrane, are unarguably one of the most important therapeutic targets. Given the recent discoveries of allosteric modulations, an allosteric wiring…

Biomolecules · Quantitative Biology 2013-10-16 Yoonji Lee , Sun Choi , Changbong Hyeon

The activities and interactions of proteins that govern the cellular response to a signal generate a multitude of protein phosphorylation states and heterogeneous protein complexes. Here, using a computational model that accounts for 307…

Molecular Networks · Quantitative Biology 2007-05-23 James R. Faeder , Michael L. Blinov , Byron Goldstein , William S. Hlavacek

Living cells sense their environment through the binding of extra-cellular molecular ligands to cell surface receptors. Puzzlingly, vast numbers of signaling pathways exhibit a high degree of cross talk between different signals whereby…

Molecular Networks · Quantitative Biology 2021-04-07 Duncan Kirby , Jeremy Rothschild , Matthew Smart , Anton Zilman

A large number of eukaryotic cells are able to directly detect external chemical gradients with great accuracy and the ultimate limit to their sensitivity has been a topic of debate for many years. Previous work has been done to understand…

Cell Behavior · Quantitative Biology 2015-05-20 Stuart A. Sevier , Herbert Levine

We simulate the electrical properties of a device realized by a G protein coupled receptor (GPCR), embedded in its membrane and in contact with two metallic electrodes through which an external voltage is applied. To this purpose, recently,…

Quantitative Methods · Quantitative Biology 2009-11-11 C. Pennetta , V. Akimov , E. Alfinito , L. Reggiani , G. Gomila , G. Ferrari , L. Fumagalli , M. Sampietro

In human cells, estrogenic signals induce cyclical association and dissociation of specific proteins with the DNA in order to activate transcription of estrogen-responsive genes. These oscillations can be modeled by assuming a large number…

Cell Behavior · Quantitative Biology 2007-05-23 Vincent Lemaire , Chiu Fan Lee , Jinzhi Lei , Raphael Metivier , Leon Glass

While cooperativity in ligand-induced receptor dimerization has been linked with receptor-receptor couplings via minimal representations of physical observables, effects arising from higher-order oligomer (e.g., trimer and tetramer)…

Molecular Networks · Quantitative Biology 2019-12-18 Masaki Watabe , Satya N. V. Arjunan , Wei Xiang Chew , Kazunari Kaizu , Koichi Takahashi

Most sensory cells use surface receptors to detect environmental stimuli and initiate downstream signaling. Cooperative interactions among sensory receptors is known to play a crucial role in enhancing the sensitivity of biochemical…

Molecular Networks · Quantitative Biology 2014-01-15 Jianmin Sun , Michael Grabe

Modulation of the properties of AMPA receptors at the post-synaptic membrane is one of the main suggested mechanisms behind synaptic plasticity in the central nervous system of vertebrates. Electrophysiological recordings of single channels…

Molecular Networks · Quantitative Biology 2015-06-22 Ranjita Dutta Roy , Christian Rosenmund , Stuart J Edelstein , Nicolas Le Novère

Cells measure concentrations of external ligands by capturing ligand molecules with cell surface receptors. The numbers of molecules captured by different receptors co-vary because they depend on the same extrinsic ligand fluctuations.…

Neurons and Cognition · Quantitative Biology 2016-09-21 Vijay Singh , Martin Tchernookov , Ilya Nemenman

Clustering of ligand-binding receptors of different types on thickened isles of the cell membrane, namely lipid rafts, is an experimentally observed phenomenon. Although its influence on cell response is deeply investigated, the role of the…

Biological Physics · Physics 2020-06-01 A. R. Carotenuto , L. Lunghi , V. Piccolo , M. Babaei , K. Dayal , N. M. Pugno , M. Zingales , L. Deseri , M. Fraldi

Appropriate regulation of gene expression is essential to ensure that protein synthesis occurs in a selective manner. The control of transcription is the most dominant type of regulation mediated by a complex of molecules such as…

Molecular Networks · Quantitative Biology 2010-02-04 Rajesh Karmakar

G-Protein Coupled Receptors (GPCRs) are integral to numerous physiological processes and are the target of approximately one-third of FDA-approved therapeutics. Despite their significance, only a limited subset of GPCRs has been…

Quantitative Methods · Quantitative Biology 2025-02-26 Garima Chib , Parisa Mollaei , Amir Barati Farimani
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