Relative entropy as a universal metric for multiscale errors

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 81, Issue 6, 2010, Pages

  Chaimovich, Aviel ^a   Shell, M Scott ^a  

^a Santa Barbara   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

POTENTIAL ENERGY;

CASE-STUDIES; COARSE GRAINED MODELS; COARSE GRAINING; COARSE-GRAINED; FIRST PRINCIPLES; MULTI-SCALE; POTENTIAL ENERGY LANDSCAPES; RELATIVE ENTROPY;

ENTROPY;

EID: 77954232282     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.81.060104     Document Type: Article

References (16)

1. J. J. de Pablo, AIChE J. 51, 2371 (2005). 10.1002/aic.10623
2. G. S. Ayton, W. G. Noid, and G. A. Voth, Curr. Opin. Struct. Biol. 17, 192 (2007). 10.1016/j.sbi.2007.03.004
3. M. Praprotnik, L. D. Site, and K. Kremer, Annu. Rev. Phys. Chem. 59, 545 (2008). 10.1146/annurev.physchem.59.032607.093707
4. P. Sherwood, B. R. Brooks, and M. S. P. Sansom, Curr. Opin. Struct. Biol. 18, 630 (2008). 10.1016/j.sbi.2008.07.003
5. Phys. Chem. Chem. Phys. 11 (2009), Themed issue on Coarse-Grained Modeling of Soft Condensed Matter, edited by, R. Faller,. 10.1039/b903987m
6. T. L. Hill, An Introduction to Statistical Thermodynamics (Addison-Wesley, Reading, Mass., 1960).
7. D. Chandler, Introduction to Modern Statistical Mechanics (Oxford University Press, New York, 1987).
8. K. A. Dill, Protein Sci. 4, 561 (1995). 10.1002/pro.5560040401
9. A. P. Lyubartsev and A. Laaksonen, Phys. Rev. E 52, 3730 (1995). 10.1103/PhysRevE.52.3730
10. S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005). 10.1021/jp044629q
11. S. Izvekov and G. A. Voth, J. Chem. Phys. 123, 134105 (2005). 10.1063/1.2038787
12. M. S. Shell, J. Chem. Phys. 129, 144108 (2008). 10.1063/1.2992060
13. A. Chaimovich and M. S. Shell, Phys. Chem. Chem. Phys. 11, 1901 (2009). 10.1039/b818512c
14. See supplementary material at http://link.aps.org/supplemental/10.1103/ PhysRevE.81.060104 for detailed derivations for Eqs..
15. R. W. Zwanzig, J. Chem. Phys. 22, 1420 (1954). 10.1063/1.1740409
16. O. Redlich and J. N. S. Kwong, Chem. Rev. 44, 233 (1949). 10.1021/cr60137a013