Electrostatics of proteins: Description in terms of two dielectric constants simultaneously

Proteins: Structure, Function and Genetics

Volumn 28, Issue 2, 1997, Pages 174-182

  Krishtalik, L I ^a   Kuznetsov, A M ^a   Mertz, E L ^a  

^a FRUMKIN INSTITUTE OF PHYSICAL CHEMISTRY AND ELECTROCHEMISTRY   (Russian Federation)

Author keywords

Intraprotein electric field; Ion charging; Ion formation energy; Optical and static dielectric constants; Proteins as preorganized media; Reorganization energy

Indexed keywords

PROTEIN; WATER;

ARTICLE; CALCULATION; DIELECTRIC CONSTANT; DIPOLE; ELECTRIC FIELD; ENERGY TRANSFER; IONIZATION; POLARIZATION; PRIORITY JOURNAL; PROTEIN STRUCTURE;

ELECTROSTATICS; PROTEINS;

EID: 0030910225     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199706)28:2<174::AID-PROT6>3.0.CO;2-F     Document Type: Article

References (23)

1. Harvey, S.C. Treatment of electrostatic effects in macromolecular modeling. Proteins 5:78-92, 1989.
2. Davis, M.E., McCammon, J.A. Electrostatics in biomolecular structure and dynamics. Chem. Rev. 90:509-521, 1990.
3. Sharp, K.A., Honig, B.H. Electrostatic interactions in macromolecules: Theory and applications. Annu. Rev. Biophys. Biophys. Chem. 19:301-332, 1990.
4. Warshel, A., Åqvist, J. Electrostatic energy and macromolecular function. Annu. Rev. Biophys. Biophys. Chem. 20:267-298, 1991.
5. Pethig, R. Dielectric and Electronic Behavior of Biological Materials. New York: John Wiley & Sons, 1979.
6. Krishtalik, L.I. The specific features of enzymes as a polar medium and their role in the mechanism of the enzymatic process. Mol. Biol. (Moscow) 8:91-99, 1974.
7. Gilson, M.K., Rashin, A., Fine, R., Honig, B.H. On the calculation of electrostatic interactions in proteins. J. Mol. Biol. 183:503-513, 1985.
8. Gilson, M.K., Honig, B.H. The dielectric constant of a folded protein. Biopolymers 25:2097-2119, 1986.
9. Honig, B.H., Hubbell, W.L., Flewelling, R.F. Electrostatic interaction in membranes and proteins. Annu. Rev. Biophys. Biophys. Chem. 15:163-194, 1986.
10. Krishtalik, L.I. Dielectric constant in calculations of the electrostatics of biopolymers. J. Theor. Biol. 139:143-154, 1989.
11. Krishtalik, L.I. Fast electron transfers in photosynthetic reaction centre: Effect of the time-evolution of dielectric response. Biochem. Biophys. Acta 1228:58-66, 1995.
12. Krishtalik, L.I. Intramembrane electron transfer: Processes in photosynthetic reaction center. Biochem. Biophys. Acta 1273:139-149, 1996.
13. Krishtalik, L.I., Kuznetsov, A.M., Mertz, E.L. Electrostatics of proteins: Description in terms of two dielectric constants simultaneously. Biophys. J. 70:A225, 1996.
14. Simonson, T., Perahia, D., Brünger, A.T. Microscopic theory of the dielectric properties of proteins. Biophys. J. 59:670-690, 1991.
15. Simonson, T., Perahia, D. Microscopic dielectric properties of cytochrome c from molecular dynamics simulations in aqueous solution. J. Am. Chem. Soc. 117:7987-8000, 1995.
16. Kuznetsov, A.M., Ulstrup, J., Vorotyntsev, M.A. Solvent effects in charge transfer processes. In: "The Chemical Physics of Solvation." Part C. Dogonadze, R.R., Kálmán, E., Kornyshev, A.A., Ulstrup, J. (eds.) Amsterdam: Elsevier, 1988:163-273.
17. King, G., Lee, F.S., Warshel, A. Microscopic simulations of macroscopic dielectric constants of solvated proteins. J. Chem. Phys. 95:4366-4377, 1991.
18. Krishtalik, L.I. Conformational mobility of proteins and activation energy of enzymatic charge transfer reactions: An analysis in dielectric formalism. J. Theor. Biol. 116:201-204, 1985.
19. Nakamura, H., Sakamoto, T., Wada, A. A theoretical study of the dielectric constant of protein. Protein Eng. 2:177-183, 1988.
20. Smith, P.E., Brunne, R.M., Mark, A.E., van Gunsteren, W.F. Dielectric properties of trypsin inhibitor and lysozyme calculated from molecular dynamics simulations. J. Phys. Chem. 97:2009-2014, 1993.
21. Simonson, T., Perahia, D. Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution. Proc. Natl. Acad. Sci. USA 92:1082-1086, 1995.
22. Liu, Y.-P., Newton, M.D. Reorganization energy for electron transfer at film-modified electrode surfaces: A dielectric continuum model. J. Phys. Chem. 98:7162-7169, 1994.
23. Marcus, R.A. Free energy of nonequilibrium polarization systems. 4. A formalism based on the nonequilibrium dielectric displacement. J. Phys. Chem. 98:7170-7174, 1994.