2024Bock MD

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Revision as of 06:31, 14 August 2024 by WikiSysop (talk | contribs) (Created page with "== Citation == Bock, Lars V. / Igaev, Maxim / Grubmüller, Helmut. Single-particle Cryo-EM and molecular dynamics simulations: A perfect match. 2024. Current Opinion in Structural Biology, Vol. 86, p. 102825 == Abstract == Knowledge of the structure and dynamics of biomolecules is key to understanding the mechanisms underlying their biological functions. Single-particle cryo-electron microscopy (cryo-EM) is a powerful structural biology technique to characterize compl...")
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Citation

Bock, Lars V. / Igaev, Maxim / Grubmüller, Helmut. Single-particle Cryo-EM and molecular dynamics simulations: A perfect match. 2024. Current Opinion in Structural Biology, Vol. 86, p. 102825

Abstract

Knowledge of the structure and dynamics of biomolecules is key to understanding the mechanisms underlying their biological functions. Single-particle cryo-electron microscopy (cryo-EM) is a powerful structural biology technique to characterize complex biomolecular systems. Here, we review recent advances of how Molecular Dynamics (MD) simulations are being used to increase and enhance the information extracted from cryo-EM experiments. We will particularly focus on the physics underlying these experiments, how MD facilitates structure refinement, in particular for heterogeneous and non-isotropic resolution, and how thermodynamic and kinetic information can be extracted from cryo-EM data.

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https://www.sciencedirect.com/science/article/pii/S0959440X24000526

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