Single-particle Cryo-EM and molecular dynamics simulations: A perfect match

被引:6
作者
Bock, Lars, V [1 ]
Igaev, Maxim [1 ]
Grubmueller, Helmut [1 ]
机构
[1] Max Planck Inst Multidisciplinary Sci, Theoret & Computat Biophys Dept, Fassberg 11, D-37077 Gottingen, Germany
关键词
PROTEIN-STRUCTURE; ANGSTROM RESOLUTION; ELECTRON-MICROSCOPY; RIBOSOME; COMPLEX;
D O I
10.1016/j.sbi.2024.102825
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页数:8
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