ArticlePLoS computational biology2011
Long-range intra-protein communication can be transmitted by correlated side-chain fluctuations alone.
Article in PLoS computational biology, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.
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Who cites it
32 citing papers in PubMed.
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- intDesc-AbMut: A Tool for Describing and Understanding How Antibody Mutations Impact Their Environmental Interactions.Computational and structural biotechnology journal · 2026Article
- The Evolving Landscape of Protein Allostery: From Computational and Experimental Perspectives.Journal of molecular biology · 2025Review
- Enzyme stabilisation due to incorporation of a fluorinated non-natural amino acid at the protein surface.Scientific reports · 2024Article
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- Dynamic networks observed in the nucleosome core particles couple the histone globular domains with DNA.Communications biology · 2020Article
- Significance of triple torsional correlations in proteins.RSC advances · 2019Article
- Coupled molecular dynamics mediate long- and short-range epistasis between mutations that affect stability and aggregation kinetics.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
- Same but not alike: Structure, flexibility and energetics of domains in multi-domain proteins are influenced by the presence of other domains.PLoS computational biology · 2018Article
- Gears-In-Motion: The Interplay of WW and PPIase Domains in Pin1.Frontiers in oncology · 2018Review
- Quantifying Allosteric Communication via Both Concerted Structural Changes and Conformational Disorder with CARDS.Journal of chemical theory and computation · 2017Article
- The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems.Journal of chemical theory and computation · 2016Article
- Nonlinear backbone torsional pair correlations in proteins.Scientific reports · 2016Article
- Computational approaches to detect allosteric pathways in transmembrane molecular machines.Biochimica et biophysica acta · 2016Article
- Dynamic Coupling and Allosteric Networks in the α Subunit of Heterotrimeric G Proteins.The Journal of biological chemistry · 2016Article
- Using THz Spectroscopy, Evolutionary Network Analysis Methods, and MD Simulation to Map the Evolution of Allosteric Communication Pathways in c-Type Lysozymes.Molecular biology and evolution · 2016Article
- Using kernelized partial canonical correlation analysis to study directly coupled side chains and allostery in small G proteins.Bioinformatics (Oxford, England) · 2015Article
- Investigating Dynamic Interdomain Allostery in Pin1.Biophysical reviews · 2015Article
- Discovery of multiple hidden allosteric sites by combining Markov state models and experiments.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
Corrections and comments
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3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Allosteric regulation is a key component of cellular communication, but the way in which information is passed from one site to another within a folded protein is not often clear. While backbone motions have long been considered essential for long-range information conveyance, side-chain motions have rarely been considered. In this work, we demonstrate their potential utility using Monte Carlo sampling of side-chain torsional angles on a fixed backbone to quantify correlations amongst side-chain inter-rotameric motions. Results indicate that long-range correlations of side-chain fluctuations can arise independently from several different types of interactions: steric repulsions, implicit solvent interactions, or hydrogen bonding and salt-bridge interactions. These robust correlations persist across the entire protein (up to 60 Å in the case of calmodulin) and can propagate long-range changes in side-chain variability in response to single residue perturbations.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.