Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew.
By Hans W. Horn, William Swope, J. Pitera, Jeffry D. Madura, T. J. Dick, Greg L. Hura, T. Head‐Gordon. Journal of Chemical Physics, 2004
1,973 citations recorded by the source corpus.
Subfields: Materials Chemistry, Molecular Biology, Plant Science
View Paper: https://www.semanticscholar.org/paper/2bf836e5623f08581f3db9c049b80ec1a3318500
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In Materials Chemistry
- David E. Shaw
- Paul Robustelli
- Stefano Piana
- Vijay S. Pande
- Eric J. Sorin
- Yue Yang
- Sergio Ernesto Wong
- Felice C. Lightstone
In Molecular Biology
- David E. Shaw
- Paul Robustelli
- Stefano Piana
- Vijay S. Pande
- Eric J. Sorin
- Yue Yang
- Sergio Ernesto Wong
- Felice C. Lightstone
Citations in the corpus
- Exploring the helix-coil transition via all-atom equilibrium ensemble simulations. (2005, background): “…been shown that, like many other water models, TIP3P does not adequately capture the character of true water outside the ambient temperature regime (Horn et al., 2004) and although it is unclear to what degree the TIP3P water model influences this lack of accuracy at nonambient temperatures, it is…”
- Approaches to efficiently estimate solvation and explicit water energetics in ligand binding: the use of WaterMap (2013, positive): “Modified TIP4P models have been introduced by either fitting to reproduce maximum density at 4 (TIP4P/2005 [92]) or introducing polarization effect (TIP4P-FQ [93]), or refitting to reproduce other properties [94,95].”