Dynamic Electric Field Alignment Determines the Water Rotational Motion around Protein

• Published in: The journal of physical chemistry. B Vol. 127; no. 6; pp. 1376 - 1384
• Main Authors: Hu, Kang, Shirakashi, Ryo
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 16.02.2023
• Subjects: B: Liquids; Chemical and Dynamical Processes in Solution; electric field; Electricity; fluorescence; lysozyme; molecular dynamics; Molecular Dynamics Simulation; Proteins; Rotation; Water

Water rotational dynamics in biomolecular solution is crucial to evaluating and controlling biomolecule stability. In this molecular dynamics simulation (MD) study on lysozyme solutions, we present how the exerted internal electric field determines water rotational dynamics. We find that the relaxat...