Publication Type
Journal
Journal Name
Journal of Chemical Theory and Computation
Publication Date
Page Numbers
1390 to 1400
Volume
6
Issue
4
Abstract
Protein and hydration shell dynamics was investigated as function of temperature and water model. Overall dynamics was invariant under the exchange of the water model (TIP3P, TIP4P, TIP5P) for the investigated temperatures (20-300 K). The data provides evidence that changing the water model in protein simulations may be possible without loss of accuracy
