ReviewStructure (London, England : 1993)2019
Allostery in Its Many Disguises: From Theory to Applications.
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Review in Structure (London, England : 1993), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 199 papers.
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199citing papers in PubMed
27.3field-weighted citation impact, top 1% of its field
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Who cites it
199 citing papers in PubMed, 391 citations in OpenAlex.
- Investigating the effects of missense mutations on the dual Ras/Rap activation mechanism of SYNGAP1 using molecular modelling.Journal of structural biology: X · 2026Article
- AlloPool is a deep learning framework that infers protein allostery from molecular dynamics simulations.PLoS biology · 2026Article
- RinPy, a Python Package for Residue Interaction Network Model to Analyze Protein Structures and Predict Ligand Binding Sites.Journal of chemical information and modeling · 2026Article
- Inactivation Switch for Run-up in TRPV2.Research square · 2026Article
- Decoding the allosteric grammar of protein kinases: A dual-stream framework integrating protein language models and energy landscape frustration analysis.Protein science : a publication of the Protein Society · 2026Article
- Heterotropic regulation and negative homotropic cooperativity.FEBS open bio · 2026Article
- Artificial Intelligence and Protein Design: A retrospective study on 20-year emerging trends and core research areas from bibliometric perspectives.Probiotics and antimicrobial proteins · 2026Article
- Surface electrostatic networks control hydrophobic core remodeling in a pH-dependent switching protein.bioRxiv : the preprint server for biology · 2026Article
- Integrated Framework for Probing Multimodal Protein Foundation Models with Structure-Functional Interpretability Analysis in Detection of Allosteric Binding Sites.bioRxiv : the preprint server for biology · 2026Article
- Multiscale Modeling of the Bacterial Ribosome to Identify Potential Peptide Modulators and Their Allosteric Effects.Biochemistry · 2026Article
- Origins of allostery in vertebrate hemoglobin evolution.bioRxiv : the preprint server for biology · 2026Article
- Ligand-driven modulation of chaperone-cochaperone networks shapes proteostasis outcomes.Protein science : a publication of the Protein Society · 2026Article
- A Trichomonas vaginalis C2-XYPPX-repeat protein with a structured C2 domain displaying dampened flexibility upon binding calcium.Biochimie · 2026Article
- Contact Cluster Modeling of Allosteric Communication in PDZ Domains.The journal of physical chemistry. B · 2026Review
- Boosting Reversible Photocontrol of a Photoxenase by an Engineered Conformational Shift.Angewandte Chemie (International ed. in English) · 2026Article
- Framework for Quantifying the Efficiency of Competing Signal Transmission Modes in Proteins.Journal of the American Chemical Society · 2026Article
- TDTAC: a generalized time-dependent torsion angle correlation framework for resolving directional coordination in large biomolecular assemblies.Frontiers in molecular biosciences · 2026Article
- Physics Determines and Evolution Shapes Basic Units of Protein Function and Allosteric Regulation.Methods in molecular biology (Clifton, N.J.) · 2026Review
- Beyond structures: solution NMR as the quantitative engine of integrated structural biology.Frontiers in molecular biosciences · 2026Review
- Article
139 more citing papers are in PubMed but not listed here.
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Authors and funding
39 authors at 20 institutions in 12 countries.
Shoshana J WodakVIB-VUB Centre for Structural Biology, Brussels, Belgium. Electronic address: shoshana.wodak@gmail.com.
Emanuele PaciAstbury Centre, University of Leeds, Leeds, UK.
Nikolay V DokholyanDepartment of Biochemistry & Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA; Departments of Pharmacology and Biochemistry & Molecular Biology, Penn State Medical Center, Hershey, PA, USA.
Igor N BerezovskyBioinformatics Institute (BII), Agency for Science, Technology and Research (A(∗)STAR), and Department of Biological Sciences, National University of Singapore, Singapore, Singapore.
Amnon HorovitzDepartment of Structural Biology, Weizmann Institute of Science, Rehovot, Israel.
Jing LiDepartments of Biology and T.C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, USA.
Vincent J HilserDepartments of Biology and T.C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, USA.
Ivet BaharSchool of Medicine, University of Pittsburgh, Pittsburgh, USA.
John KaranicolasFox Chase Cancer Center, Philadelphia, USA.
Gerhard StockBiomolecular Dynamics, Institute of Physics, Albert Ludwigs University, Freiburg, Germany.
Peter HammDepartment of Chemistry, University of Zurich, Zurich, Switzerland.
Roland H StoteDepartment of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
Jerome EberhardtDepartment of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
Yassmine ChebaroDepartment of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
Annick DejaegereDepartment of Integrative Structural Biology, Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), Illkirch, France.
Marco CecchiniInstitut de Chimie de Strasbourg, UMR7177 CNRS & Université de Strasbourg, Strasbourg, France.
Jean-Pierre ChangeuxInstitut Pasteur & Collège de France, Paris, France.
Peter G Bolhuisvan 't Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Amsterdam, Netherlands.
Jocelyne Vreedevan 't Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Amsterdam, Netherlands.
Pietro FaccioliPhysics Department, Università di Trento and INFN-TIFPA, Trento, Italy.
Simone OrioliPhysics Department, Università di Trento and INFN-TIFPA, Trento, Italy.
Riccardo RavasioInstitute of Physics, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
Le YanKavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106, USA.
Carolina BritoInstituto de Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS 91501-970, Brazil.
Matthieu WyartInstitute of Physics, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
Paraskevi GkekaStructure Design and Informatics, Sanofi R&D, Chilly-Mazarin, France.
Ivan RivaltaÉcole Normale Supérieure de Lyon, Université de Lyon, CNRS, Université Claude Bernard Lyon 1, Lyon, France.
Giulia PalermoDepartment of Chemistry and Biochemistry, University of California, San Diego, USA; Department of Bioengineering, University of California Riverside, CA 92507, USA.
J Andrew McCammonDepartment of Chemistry and Biochemistry, University of California, San Diego, USA.
Joanna Panecka-HofmanDivision of Biophysics, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Warsaw, Poland.
Rebecca C WadeMolecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS) and Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Heidelberg, Germany; Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Heidelberg, Germany.
Antonella Di PizioLeibniz-Institute for Food Systems Biology, Technical University of Munich, Munich, Germany.
Masha Y NivInstitute of Biochemistry, Food Science and Nutrition, Robert H Smith Faculty of Agriculture Food and Environment, The Hebrew University, Jerusalem, Israel.
Ruth NussinovFrederick National Laboratory for Cancer Research, National Cancer Institute, Frederick, USA; Sackler Institute of Molecular Medicine, Department of Human Genetics and Molecular Medicine Sackler School of Medicine, Tel Aviv University, Tel Aviv, Israel.
Chung-Jung TsaiFrederick National Laboratory for Cancer Research, National Cancer Institute, Frederick, USA.
Hyunbum JangFrederick National Laboratory for Cancer Research, National Cancer Institute, Frederick, USA.
Dzmitry PadhornyDepartment of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, NY 11794, USA.
Dima KozakovDepartment of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, NY 11794, USA.
Tom McLeishDepartment of Physics, University of York, York, UK.
Institut de génétique et de biologie moléculaire et cellulaire · FRÉcole Polytechnique Fédérale de Lausanne · CHIstituto Nazionale di Fisica Nucleare, Trento Institute for Fundamental Physics And Applications · ITJohns Hopkins University · USNational Cancer Institute · USStony Brook University · USUniversity of Amsterdam · NLUniversity of California, San Diego · USÉcole Normale Supérieure de Lyon · FRFox Chase Cancer Center · USHebrew University of Jerusalem · ILHeidelberg Institute for Theoretical Studies · DEInstitut Pasteur · FRLeibniz-Institute for Food Systems Biology at the Technical University of Munich · DENational University of Singapore · SGSanofi (France) · FRTel Aviv University · ILUniversidade Federal do Rio Grande do Sul · BRUniversité de Strasbourg · FRUniversity of California, Santa Barbara · US
Funding
TrainingP41GM103712 · NIGMS · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI COMPEAU, PHILLIP EDWARD CHARLES · 2012 to 2021
$16.3MThermodynamics of Protein FluctuationsR01GM063747 · NIGMS · UNIVERSITY OF TEXAS MEDICAL BR GALVESTON · PI HILSER, VINCENT J. · 2001 to 2023
$7.9MTHEORY OF BIOMOLECULAR DIFFUSIONR01GM031749 · NIGMS · UNIVERSITY OF HOUSTON · PI HUBER, GARY ALEXANDER, MCCAMMON, JAMES ANDREW · 1985 to 2022
$7.8MNIDA Center of Excellence OF Computational Drug Abuse Research (CDAR)P30DA035778 · NIDA · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI BAHAR, IVET, XIE, XIANG-QUN · 2014 to 2018
$5.4MRetroviral Genomic RNA Dimer Structure and FunctionR01GM064803 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI WEEKS, KEVIN M · 2002 to 2016
$3.7MEngineering allostery for in vivo protein controlR01GM123247 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI DOKHOLYAN, NIKOLAY · 2017 to 2019
$1.5MAllostery in an intrinsically disordered transcription factorR01GM126130 · NIGMS · JOHNS HOPKINS UNIVERSITY · PI HILSER, VINCENT J. · 2018 to 2021
$1.3MIntegrating cheminformatics and molecular simulations for virtual drug screeningR01GM114015 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI DOKHOLYAN, NIKOLAY · 2016 to 2019
$1.1MCCR NIH HHS HHSN261200800001CNCI NIH HHS HHSN261200800001ENIDA NIH HHS P30 DA035778NIGMS NIH HHS P41 GM103712NIGMS NIH HHS R01 GM031749NIGMS NIH HHS R01 GM063747NIGMS NIH HHS R01 GM064803NIGMS NIH HHS R01 GM114015NIGMS NIH HHS R01 GM123247NIGMS NIH HHS R01 GM126130
Abstract
Allosteric regulation plays an important role in many biological processes, such as signal transduction, transcriptional regulation, and metabolism. Allostery is rooted in the fundamental physical properties of macromolecular systems, but its underlying mechanisms are still poorly understood. A collection of contributions to a recent interdisciplinary CECAM (Center Européen de Calcul Atomique et Moléculaire) workshop is used here to provide an overview of the progress and remaining limitations in the understanding of the mechanistic foundations of allostery gained from computational and experimental analyses of real protein systems and model systems. The main conceptual frameworks instrumental in driving the field are discussed. We illustrate the role of these frameworks in illuminating molecular mechanisms and explaining cellular processes, and describe some of their promising practical applications in engineering molecular sensors and informing drug design efforts.
Indexed as
Allosteric SiteBiosensing TechniquesDrug DesignAllosteric RegulationAnimalsGene Expression RegulationHumansMetabolic Networks and PathwaysMolecular Dynamics SimulationProteinsSignal TransductionThermodynamicsTranscription, GeneticProteinsallosteric drugsallosteric materialallosteric switchesAllosteryelastic network modelsenergy landscapemolecular dynamicsprotein conformational changesprotein functionregulationsignal transduction
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