Structure, Dynamics and Function of Proteins
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Bioorganic Chemistry".
Deadline for manuscript submissions: closed (31 May 2021)
Special Issue Editor
Special Issue Information
Dear Colleagues,
The functional versatility of proteins is tightly linked to their diversity in 3D structure and internal dynamics. Detailed mechanistic understanding of macromolecular function requires accurate description and analysis of conformational motions, ranging from range from side-chain rotations to large interdomain rearrangements and covering a wide timescale from nanoseconds to minutes and beyond. In this Special Issue, we aim to explore experimental and computational approaches and their different combinations that are capable of providing atom-level models of protein internal dynamics at various time scales. Special emphasis will be placed on complex approaches incorporating computational methods and measurements, which yield results of direct functional relevance for specific proteins.
Dr. Zoltán Gáspári
Guest Editor
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Keywords
- protein internal dynamics
- conformational ensemble
- enzyme catalysis
- ligand binding
- structural rearrangements
- conformer selection
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