ArticleWiley interdisciplinary reviews. Computational molecular science
Cooperative dynamics of proteins unraveled by network models.
Article in Wiley interdisciplinary reviews. Computational molecular science. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.
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Who cites it
46 citing papers in PubMed.
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- Differences in Interactions Within Viral Replication Complexes of SARS-CoV-2 (COVID-19) and SARS-CoV Coronaviruses Control RNA Replication Ability.JOM (Warrendale, Pa. : 1989) · 2021Article
- Electron-rich triarylphosphines as nucleophilic catalysts for oxa-Michael reactions.Beilstein journal of organic chemistry · 2021Article
- PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative study using DFT method.Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology · 2021Article
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- Atomistic fibrillar architectures of polar prion-inspired heptapeptides.Chemical science · 2020Article
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3 authors.
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Abstract
Recent years have seen a significant increase in the number of computational studies that adopted network models for investigating biomolecular systems dynamics and interactions. In particular, elastic network models have proven useful in elucidating the dynamics and allosteric signaling mechanisms of proteins and their complexes. Here we present an overview of two most widely used elastic network models, the Gaussian Network Model (GNM) and Anisotropic Network Model (ANM). We illustrate their use in (i) explaining the anisotropic response of proteins observed in external pulling experiments, (ii) identifying residues that possess high allosteric potentials, and demonstrating in this context the propensity of catalytic sites and metal-binding sites for enabling efficient signal transduction, and (iii) assisting in structure refinement, molecular replacement and comparative modeling of ligand-bound forms via efficient sampling of energetically favored conformers.
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