Preprint Review Version 1 This version is not peer-reviewed

Advances in Protein Dynamics: Unraveling the Molecular Motions Underlying Biological Functions and Therapeutic Innovations

Version 1 : Received: 1 August 2024 / Approved: 4 August 2024 / Online: 6 August 2024 (04:44:33 CEST)

How to cite: Son, A.; Kim, W.; Park, J.; Lee, W.; Lee, Y.; Kim, H. Advances in Protein Dynamics: Unraveling the Molecular Motions Underlying Biological Functions and Therapeutic Innovations. Preprints 2024, 2024080272. https://doi.org/10.20944/preprints202408.0272.v1 Son, A.; Kim, W.; Park, J.; Lee, W.; Lee, Y.; Kim, H. Advances in Protein Dynamics: Unraveling the Molecular Motions Underlying Biological Functions and Therapeutic Innovations. Preprints 2024, 2024080272. https://doi.org/10.20944/preprints202408.0272.v1

Abstract

Protein dynamics play a crucial role in biological function, encompassing motions ranging from atomic vibrations to large-scale conformational changes. Recent advancements in experimental techniques, computational methods, and artificial intelligence have revolutionized our understanding of protein dynamics. Nuclear magnetic resonance spectroscopy provides atomic-resolution insights, while molecular dynamics simulations offer detailed trajectories of protein motions. The integration of machine learning, exemplified by AlphaFold2, has accelerated structure prediction and dynamics analysis. These approaches have revealed the importance of protein dynamics in allosteric regulation, enzyme catalysis, and intrinsically disordered proteins. The shift towards ensemble representations of protein structures and the application of single-molecule techniques have further enhanced our ability to capture the dynamic nature of proteins. Understanding protein dynamics is essential for elucidating biological mechanisms, designing drugs, and developing novel biocatalysts, marking a significant paradigm shift in structural biology and drug discovery.

Keywords

Protein Dynamics; Structural Biology; Molecular Dynamics; Allosteric Regulation; Enzyme Catalysis; Artificial Intelligence; Protein Folding; Conformational Changes

Subject

Biology and Life Sciences, Biochemistry and Molecular Biology

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