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Effects on Dynamic Motion

Including solvent in a molecular dynamics simulation creates a frictional force that damps some motion of the solute. This affects in particular the motions of exposed side chain in proteins. [Pg.85]

Caution Solvation in simulations can significantly increase computation time so that the simulation may be impractical. [Pg.85]


See other pages where Effects on Dynamic Motion is mentioned: [Pg.85]    [Pg.85]   


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