ArticleJournal of computational physics2021
Computational modeling of protein conformational changes - Application to the opening SARS-CoV-2 spike.
Article in Journal of computational physics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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Who cites it
4 citing papers in PubMed.
- Analysis of the Relationship Between the Charge Increment of the SARS-CoV-2 Spike Protein and Evolution.Viruses · 2025Article
- Increased preference for lysine over arginine in spike proteins of SARS-CoV-2 BA.2.86 variant and its daughter lineages.PloS one · 2025Article
- Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential.Journal of computational physics · 2024Article
- Changes in total charge on spike protein of SARS-CoV-2 in emerging lineages.Bioinformatics advances · 2024Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
We present a new approach to compute and analyze the dynamical electro-geometric properties of proteins undergoing conformational changes. The molecular trajectory is obtained from Markov state models, and the electrostatic potential is calculated using the continuum Poisson-Boltzmann equation. The numerical electric potential is constructed using a parallel sharp numerical solver implemented on adaptive Octree grids. We introduce novel
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Registered trials
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