A General Treatment of Solvent Effects Based on Screened Coulomb Potentials

Sergio A. Hassan; Frank Guarnieri; Ernest L. Mehler

doi:10.1021/jp993895e

journal article Jun 20, 2000

A General Treatment of Solvent Effects Based on Screened Coulomb Potentials

Sergio A. Hassan

Frank Guarnieri Ernest L. Mehler

The Journal of Physical Chemistry B Vol. 104 No. 27 pp. 6478-6489 · American Chemical Society (ACS)

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References

98

[1]

Luecke H. Science (1999) 10.1126/science.286.5438.255

[2]

Bryant R. G. Annu. Rev. Biophys. Biomol. Struct. (1996) 10.1146/annurev.bb.25.060196.000333

[3]

Ooi T. Adv. Biophys. (1994)

[4]

Ben-Naim A. (1980) 10.1007/978-1-4684-3545-0

[5]

Teeter M. M. Annu. Rev. Biophys. Biophys. Chem. (1991) 10.1146/annurev.bb.20.060191.003045

[6]

Teeter M. M. Dev. Biol. Stand. (1992)

[7]

Jensen L. H. Dev. Biol. Stand. (1992)

[8]

Doniach S. Curr. Opin. Struct. Biol. (1999) 10.1016/s0959-440x(99)80022-0

[9]

Mehler E. L. (1996)

[10]

Calculations of electrostatic interactions in biological systems and in solutions

Arieh Warshel, Stephen T. Russell

Quarterly Reviews of Biophysics 1984 10.1017/s0033583500005333

[11]

Electrostatic effects in macromolecules: fundamental concepts and practical modeling

Arieh Warshel, Arno Papazyan

Current Opinion in Structural Biology 1998 10.1016/s0959-440x(98)80041-9

[12]

Calculating the electrostatic potential of molecules in solution: Method and error assessment

Michael K. Gilson, Kim A. Sharp, Barry H. Honig

Journal of Computational Chemistry 1988 10.1002/jcc.540090407

[13]

Electrostatic Interactions in Macromolecules: Theory and Applications

Kim A. Sharp, Barry Honig

Annual Review of Biophysics and Biophysical Chemis... 1990 10.1146/annurev.bb.19.060190.001505

[14]

Gilson M. K. J. Phys. Chem. (1993) 10.1021/j100116a025

[15]

Prediction of Ph-dependent Properties of Proteins

Jan Antosiewicz, J.Andrew McCammon, Michael K. Gilson

Journal of Molecular Biology 1994 10.1006/jmbi.1994.1301

[16]

Bashford D. Biochemistry (1990) 10.1021/bi00496a010

[17]

Macroscopic models of aqueous solutions: biological and chemical applications

Barry Honig, Kim Sharp, An Suei Yang

The Journal of Physical Chemistry 1993 10.1021/j100108a002

[18]

Tazaki K. J. Phys. Chem. (1996) 10.1021/jp9536312

[19]

Reduction potentials of various aromatic hydrocarbons and their univalent anions

G. J. Hoijtink, E. de Boer, P. H. van der Meij et al.

Recueil des Travaux Chimiques des Pays-Bas 1956 10.1002/recl.19560750502

[20]

Semianalytical treatment of solvation for molecular mechanics and dynamics

W. Clark Still, Anna Tempczyk, Ronald C. Hawley et al.

Journal of the American Chemical Society 1990 10.1021/ja00172a038

[21]

An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation

Christopher J. Cramer, Donald G. Truhlar

Science 1992 10.1126/science.256.5054.213

[22]

Qiu D. J. Phys. Chem. (1997)

[23]

A Comprehensive Analytical Treatment of Continuum Electrostatics

Michael Schaefer, Martin Karplus

The Journal of Physical Chemistry 1996 10.1021/jp9521621

[24]

Hendsch Z. S. J. Phys. Chem. (1998) 10.1021/jp9728666

[25]

Computation of molecular electrostatics with boundary element methods

J. Liang, S. Subramaniam

Biophysical Journal 1997 10.1016/s0006-3495(97)78213-4

[26]

Enzyme-Inhibitor Association Thermodynamics

Haluk Resat, Tami J. Marrone, J.Andrew McCammon

Biophysical Journal 1997 10.1016/s0006-3495(97)78692-2

[27]

Finite representation of an infinite bulk system: Solvent boundary potential for computer simulations

Dmitrii Beglov, Benoît Roux

The Journal of Chemical Physics 1994 10.1063/1.466711

[28]

Tironi I. G. J. Chem. Phys. (1997) 10.1063/1.473269

[29]

Scarsi M. J. Phys. Chem. (1997) 10.1021/jp9714227

[30]

Friedrichs M. J. Phys. Chem. (1999) 10.1021/jp982513m

[31]

Warshel A. Proc. Natl. Acad. Sci. U.S.A. (1984)

[32]

Sham Y. Y. J. Phys. Chem. (1997) 10.1021/jp970645u

[33]

Electrostatic Energy and Macromolecular Function

A Warshel, J Aqvist

Annual Review of Biophysics and Biophysical Chemis... 1991 10.1146/annurev.bb.20.060191.001411

[34]

Born M. Z. Phys. (1920)

[35]

Cramer C. J. J. Am. Chem. Soc. (1991)

[36]

Cramer C. J. J. Am. Chem. Soc. (1991) 10.1021/ja00022a070

[37]

Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model

Michael Schaefer, Christian Bartels, Martin Karplus

Journal of Molecular Biology 1998 10.1006/jmbi.1998.2172

[38]

Collura V. P. Protein Eng. (1994) 10.1093/protein/7.2.221

[39]

Given J. A. Proteins (1998) 10.1002/(sici)1097-0134(19981201)33:4<475::aid-prot3>3.0.co;2-b

[40]

Luo R. J. Am. Chem. Soc. (1998)

[41]

Development of a Generalized Born Model Parametrization for Proteins and Nucleic Acids

Brian N. Dominy, Charles L. Brooks

The Journal of Physical Chemistry B 1999 10.1021/jp984440c

[42]

Webb T. J. J. Am. Chem. Soc. (1926) 10.1021/ja01421a014

[43]

Debye P. J. Am. Chem. Soc. (1925) 10.1021/ja01685a008

[44]

Schwarzenbach G. Z. Phys. Chem. A (1936)

[45]

Dielectric relaxation spectra of water adsorbed on lysozyme

S. C. Harvey, P. Hoekstra

The Journal of Physical Chemistry 1972 10.1021/j100665a011

[46]

Further observations on the electrical properties of hemoglobin-bound water

Bernard E. Pennock, Herman P. Schwan

The Journal of Physical Chemistry 1969 10.1021/j100842a024

[47]

Takashima S. J. Phys. Chem. (1965)

[48]

Hasted J. B. J. Chem. Phys. (1948) 10.1063/1.1746645

[49]

Debye, P.Polar Molecules; Dover: New York, 1929.

[50]

Lorentz H. A. (1952)

Showing 50 of 98 references

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Details

Published: Jun 20, 2000
Vol/Issue: 104(27)
Pages: 6478-6489

Authors

S

Sergio A. Hassan

Department of Physiology and Biophysics, Mount Sinai School of Medicine, New York, New York 10029

F

Frank Guarnieri

Department of Physiology and Biophysics, Mount Sinai School of Medicine, New York, New York 10029

E

Ernest L. Mehler

Department of Physiology and Biophysics, Mount Sinai School of Medicine, New York, New York 10029

Cite This Article

Sergio A. Hassan, Frank Guarnieri, Ernest L. Mehler (2000). A General Treatment of Solvent Effects Based on Screened Coulomb Potentials. The Journal of Physical Chemistry B, 104(27), 6478-6489. https://doi.org/10.1021/jp993895e

A General Treatment of Solvent Effects Based on Screened Coulomb Potentials

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