Rationalizing the effects of modified electrostatic interactions in computer simulations: The dielectric self-consistent field method

Journal of Chemical Physics

Volumn 111, Issue 18, 1999, Pages 8271-8274

  Boresch, Stefan ^a   Steinhauser, Othmar ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000421017     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480170     Document Type: Article

References (19)

1. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Oxford University Press, New York, 1989).
2. H. Schreiber and O. Steinhauser, Biochemistry 31, 5856 (1992).
3. H. Schreiber and O. Steinhauser, Chem. Phys. 168, 75 (1992).
4. H. Schreiber and O. Steinhauser, J. Mol. Biol. 228, 909 (1992).
5. T. Fox and P. A. Kollman, Proteins: Struct., Funct., Genet. 25, 315 (1996).
6. P. E. Smith and B. M. Pettitt, J. Chem. Phys. 95, 8430 (1991).
7. R. H. Wood, J. Chem. Phys. 103, 6177 (1995).
8. S. Sakane, H. S. Ashbaugh, and R. H. Woods, J. Phys. Chem. B 102, 5673 (1998).
9. P. H. Hünenberger and J. A. McCammon, J. Chem. Phys. 110, 1856 (1999).
10. M. Neumann, Mol. Phys. 50, 841 (1983).
11. S. Boresch, S. Ringhofer, P. Höchtl, and O. Steinhauser, Biophys. Chem. 78, 43 (1999).
12. O. Steinhauser, S. Boresch, and H. Bertagnolli, J. Chem. Phys. 93, 2357 (1990).
13. E. O. Brigham, FFT Schnelle Fourier Transformation (Oldenbourg, München, Wien, 1982).
14. P. Höchtl, S. Boresch, W. Bitomsky, and O. Steinhauser, J. Chem. Phys. 109, 4927 (1998).
15. E. Neria, S. Fischer, and M. Karplus, J. Chem. Phys. 105, 1902 (1996).
16. B. R. Brooks et al., J. Comput. Chem. 4, 187 (1983).
17. G. Hummer, D. M. Soumpasis, and M. Neumann, J. Phys.: Condens. Matter 6, A141 (1994).
18. S. Boresch and O. Steinhauser, Ber. Bunsen Phys. Chem. 101, 1019 (1997).
19. S. Boresch and O. Steinhauser (in preparation).