Computational modeling of protein conformational changes -- application to the opening SARS-CoV-2 spike

DOI10.1016/j.jcp.2021.110591OpenAlexW3183260605MaRDI QIDQ2132686

Anna Kucherova, Shahar Sukenik, Maxime Theillard, Selma Strango

Publication date: 28 April 2022

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2021.110591

zbMATH Keywords

Poisson-Boltzmannmultiscale modelingCOVID-19SARS-CoV-2spike proteinmolecular trajectory

Mathematics Subject Classification ID

Numerical methods for partial differential equations, initial value and time-dependent initial-boundary value problems (65Mxx) Numerical methods for partial differential equations, boundary value problems (65Nxx) Physiological, cellular and medical topics (92Cxx)

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Uses Software

• PB-AM

Cites Work

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