June 2011

Journal

Temperature Dependence of Protein Dynamics Simulated With Three Different Water Models

By:
Glass, Dennis C; Krishnan, marimuthu; Nutt, David; Smith, Jeremy C
Journal Name:
Journal of Chemical Theory and Computation
Page Number:
1390-1400
Volume:
6
Issue Number:
4
Publication Date:
June 23, 2011
View DOI Listing:
https://doi.org/10.1021/ct9006508

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


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