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Article Dans Une Revue Proteins - Structure, Function and Bioinformatics Année : 2008

Solvent effects in the slow dynamics of proteins

Résumé

The influence of solvent on the slow internal dynamics of proteins is studied by comparing Molecular Dynamics simulations of solvated and unsolvated lysozyme. The dynamical trajectories are projected onto the protein's normal modes in order to obtain a separate analysis for each of the associated time scales. The results show that solvent effects are important for the slowest motions (below 1ps−1) but negligible for faster motions. The damping effects seen in the latter show that the principal source of friction in protein dynamics is not the solvent, but the protein itself.

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Dates et versions

hal-00176279 , version 1 (03-10-2007)

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Konrad Hinsen, Gérald Kneller. Solvent effects in the slow dynamics of proteins. Proteins - Structure, Function and Bioinformatics, 2008, 70 (4), pp.1235-1242. ⟨10.1002/prot.21655⟩. ⟨hal-00176279⟩
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