메뉴 건너뛰기




Volumn 76, Issue 1 I, 1999, Pages 1-16

Biomolecular electrostatics with the linearized Poisson-Boltzmann equation

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; BIOENERGY; DIELECTRIC CONSTANT; ELECTRIC FIELD; ELECTRICITY; GEOMETRY; IONIC STRENGTH; LINEAR SYSTEM; MOLECULAR BIOLOGY; SURFACE CHARGE; THERMODYNAMICS;

EID: 0032937077     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(99)77173-0     Document Type: Article
Times cited : (108)

References (61)
  • 1
    • 0027955787 scopus 로고
    • Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins
    • Abagyan, R., and M. Totrov. 1994. Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins. J. Mol. Biol. 235:983-1002.
    • (1994) J. Mol. Biol. , vol.235 , pp. 983-1002
    • Abagyan, R.1    Totrov, M.2
  • 2
    • 0000583179 scopus 로고
    • The counterion distribution in solutions of rod-shaped polyelectrolytes
    • Alfrey, T., Jr., P. W. Berg, and H. Morawetz. 1951. The counterion distribution in solutions of rod-shaped polyelectrolytes. J. Polymer Sci. 7:543-547.
    • (1951) J. Polymer Sci. , vol.7 , pp. 543-547
    • Alfrey T., Jr.1    Berg, P.W.2    Morawetz, H.3
  • 3
    • 0028305457 scopus 로고
    • Prediction of pH-dependent properties of proteins
    • Antosiewicz, J., J. A. McCammon, and M. K. Gilson. 1994. Prediction of pH-dependent properties of proteins. J. Mol. Biol. 238:415-436.
    • (1994) J. Mol. Biol. , vol.238 , pp. 415-436
    • Antosiewicz, J.1    McCammon, J.A.2    Gilson, M.K.3
  • 4
    • 0030710155 scopus 로고    scopus 로고
    • Electrostatic and non electrostatics effects on anthracycline DNA binding
    • Baginski, M., F. Fogolari, and J. M. Briggs. 1997. Electrostatic and non electrostatics effects on anthracycline DNA binding. J. Mol. Biol. 274: 253-267.
    • (1997) J. Mol. Biol. , vol.274 , pp. 253-267
    • Baginski, M.1    Fogolari, F.2    Briggs, J.M.3
  • 5
    • 0027787519 scopus 로고
    • Determination of the nuclear magnetic resonance solution structure of an Antennapedia-DNA complex
    • Billeter, M., Y. Q. Qian, G. Otting, M. Müller, W. J. Gehring, and K. Wüthrich. 1993. Determination of the nuclear magnetic resonance solution structure of an Antennapedia-DNA complex. J. Mol. Biol. 234: 1084-1097.
    • (1993) J. Mol. Biol. , vol.234 , pp. 1084-1097
    • Billeter, M.1    Qian, Y.Q.2    Otting, G.3    Müller, M.4    Gehring, W.J.5    Wüthrich, K.6
  • 8
    • 0000264109 scopus 로고
    • A contribution to the theory of electrocapillarity
    • Chapman, D. L. 1913. A contribution to the theory of electrocapillarity. Phil. Mag. 25:475-481.
    • (1913) Phil. Mag. , vol.25 , pp. 475-481
    • Chapman, D.L.1
  • 9
    • 4243463817 scopus 로고
    • Electrostatics in biomolecular structure and dynamics
    • Davis, M. E., and J. A. McCammon. 1990. Electrostatics in biomolecular structure and dynamics. Chem. Rev. 90:509-521912.
    • (1990) Chem. Rev. , vol.90 , pp. 509-521912
    • Davis, M.E.1    McCammon, J.A.2
  • 11
    • 0000134186 scopus 로고
    • A theory of the stability of strongly charged lyophobic sols and the coalescence of strongly charged particles in electrolytic solution
    • Derjaguin, B., and L. Landau. 1941. A theory of the stability of strongly charged lyophobic sols and the coalescence of strongly charged particles in electrolytic solution. Acta Phys.-Chim. USSR. 14:633-662.
    • (1941) Acta Phys.-Chim. USSR. , vol.14 , pp. 633-662
    • Derjaguin, B.1    Landau, L.2
  • 12
    • 0001166734 scopus 로고
    • Zur theorie der elektrolyte
    • Debye, P., and E. Hückel. 1923. Zur theorie der elektrolyte. Physik. Zeitschr. 24:185-206.
    • (1923) Physik. Zeitschr. , vol.24 , pp. 185-206
    • Debye, P.1    Hückel, E.2
  • 13
    • 33750208626 scopus 로고
    • The Poisson-Boltzmann equation and its application to polyelectrolytes
    • Fixman, M. 1979. The Poisson-Boltzmann equation and its application to polyelectrolytes. J. Chem. Phys. 70:4995-5005.
    • (1979) J. Chem. Phys. , vol.70 , pp. 4995-5005
    • Fixman, M.1
  • 14
    • 0031578985 scopus 로고    scopus 로고
    • On the variational approach to the Poisson-Boltzmann free energies
    • Fogolari, F., and J. M. Briggs. 1997. On the variational approach to the Poisson-Boltzmann free energies. Chem. Phys. Lett. 281:135-139.
    • (1997) Chem. Phys. Lett. , vol.281 , pp. 135-139
    • Fogolari, F.1    Briggs, J.M.2
  • 18
    • 0001585447 scopus 로고
    • Computation of electrostatic forces on solvated molecules using the Poisson-Boltzmann equation
    • Gilson, M. K., M. E. Davis, B. A. Luty, and J. A. McCammon. 1993. Computation of electrostatic forces on solvated molecules using the Poisson-Boltzmann equation. J. Phys. Chem. 97:3591-3600.
    • (1993) J. Phys. Chem. , vol.97 , pp. 3591-3600
    • Gilson, M.K.1    Davis, M.E.2    Luty, B.A.3    McCammon, J.A.4
  • 19
    • 0022816745 scopus 로고
    • The dielectric constant of a folded protein
    • Gilson, M. K., and B. Honig. 1986. The dielectric constant of a folded protein. Biopolymers. 25:2097-2119.
    • (1986) Biopolymers , vol.25 , pp. 2097-2119
    • Gilson, M.K.1    Honig, B.2
  • 20
    • 84988087911 scopus 로고
    • Calculating the electrostatic potential of molecules in solution: Method and error assessment
    • Gilson, M. K., K. A. Sharp, and B. Honig. 1987. Calculating the electrostatic potential of molecules in solution: method and error assessment. J. Comp. Chem. 9:327-335.
    • (1987) J. Comp. Chem. , vol.9 , pp. 327-335
    • Gilson, M.K.1    Sharp, K.A.2    Honig, B.3
  • 22
    • 0000555535 scopus 로고
    • Sur la constitution de la charge électrique a la surface d'un électrolyte
    • Gouy, M. 1910. Sur la constitution de la charge électrique a la surface d'un électrolyte. Journ. de Phys. 9:457-468.
    • (1910) Journ. de Phys. , vol.9 , pp. 457-468
    • Gouy, M.1
  • 23
    • 27144537557 scopus 로고
    • The electrical double layer and the theory of electrocapillarity
    • Grahame, D. C. 1947. The electrical double layer and the theory of electrocapillarity. Chem. Rev. 32:441-501.
    • (1947) Chem. Rev. , vol.32 , pp. 441-501
    • Grahame, D.C.1
  • 24
    • 0000295930 scopus 로고
    • Über den einfluß der sogenannten höheren glieder in der debye-hückelschen theorie der lösungen starker elektrolyte
    • Gronwall, T. H., V. K. La Mer, and K. Sandved. 1928. Über den einfluß der sogenannten höheren glieder in der Debye-Hückelschen theorie der lösungen starker elektrolyte. Physik. Zeitschr. 29:358-393.
    • (1928) Physik. Zeitschr. , vol.29 , pp. 358-393
    • Gronwall, T.H.1    La Mer, V.K.2    Sandved, K.3
  • 25
    • 84985698666 scopus 로고
    • Polyelectrolyte theory. I. Counterion accumulation, site-binding, and their insensitivity to polyelectrolyte shape in solutions containing finite salt concentrations
    • Gueron, M., and G. Weisbuch. 1980. Polyelectrolyte theory. I. Counterion accumulation, site-binding, and their insensitivity to polyelectrolyte shape in solutions containing finite salt concentrations. Biopolymers. 19:353-382.
    • (1980) Biopolymers , vol.19 , pp. 353-382
    • Gueron, M.1    Weisbuch, G.2
  • 26
    • 0342891993 scopus 로고
    • Polyelectrolyte theory IV. Algebraic approximation for the Poisson-Boltzmann free energy of a cylinder
    • Gueron, M., and J.-P. Demaret. 1992. Polyelectrolyte theory IV. Algebraic approximation for the Poisson-Boltzmann free energy of a cylinder. J. Phys. Chem. 96:7816-7820.
    • (1992) J. Phys. Chem. , vol.96 , pp. 7816-7820
    • Gueron, M.1    Demaret, J.-P.2
  • 27
    • 0343758233 scopus 로고
    • Polyelectrolyte theory. 2. Activity coefficients in Poisson-Boltzmann and condensation theory. The polarizability of the counterion sheath
    • Gueron, M., and G. Weisbuch. 1979. Polyelectrolyte theory. 2. Activity coefficients in Poisson-Boltzmann and condensation theory. The polarizability of the counterion sheath. J. Phys. Chem. 83:1991-1998.
    • (1979) J. Phys. Chem. , vol.83 , pp. 1991-1998
    • Gueron, M.1    Weisbuch, G.2
  • 28
    • 0029016182 scopus 로고
    • Classical electrostatic in biology and chemistry
    • Honig, B., and A. Nicholls. 1995. Classical electrostatic in biology and chemistry. Science. 268:1144-1149.
    • (1995) Science , vol.268 , pp. 1144-1149
    • Honig, B.1    Nicholls, A.2
  • 29
    • 0029930609 scopus 로고    scopus 로고
    • Exact solution to the linearized Poisson-Boltzmann equation for spheroidal surfaces
    • Hsu, J.-P., and B.-T. Liu. 1996a. Exact solution to the linearized Poisson-Boltzmann equation for spheroidal surfaces. J. Colloid Interface Sci. 175:785-788.
    • (1996) J. Colloid Interface Sci. , vol.175 , pp. 785-788
    • Hsu, J.-P.1    Liu, B.-T.2
  • 30
    • 0030588248 scopus 로고    scopus 로고
    • Solution to the linearized Poisson-Boltzmann equation for a spheroidal surface under a general surface condition
    • Hsu, J.-P., and B.-T. Liu. 1996b. Solution to the linearized Poisson-Boltzmann equation for a spheroidal surface under a general surface condition. J. Colloid Interface Sci. 183:214-222.
    • (1996) J. Colloid Interface Sci. , vol.183 , pp. 214-222
    • Hsu, J.-P.1    Liu, B.-T.2
  • 32
    • 0030007604 scopus 로고    scopus 로고
    • Modeling DNA in aqueous solutions: Theoretical and computer simulation studies on the ion atmosphere of DNA
    • Jayaram, B., and D. L. Beveridge. 1996. Modeling DNA in aqueous solutions: theoretical and computer simulation studies on the ion atmosphere of DNA. Annu. Rev. Biophys. Biomol. Struct. 25:367-394.
    • (1996) Annu. Rev. Biophys. Biomol. Struct. , vol.25 , pp. 367-394
    • Jayaram, B.1    Beveridge, D.L.2
  • 33
    • 33645941402 scopus 로고
    • The OPLS potential functions for proteins. Energy minimizations for crystals of cyclic peptides and crambin
    • Jorgensen, W. L., and J. Tirado-Rives. 1988. The OPLS potential functions for proteins. Energy minimizations for crystals of cyclic peptides and crambin. J. Am. Chem. Soc. 110:1657-1666.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 1657-1666
    • Jorgensen, W.L.1    Tirado-Rives, J.2
  • 34
    • 0002667895 scopus 로고
    • The electrostatic free energy of polyelectrolyte solutions. II. Fully stretched macromolecules
    • Lifson, S., and A. Katchalski. 1954. The electrostatic free energy of polyelectrolyte solutions. II. Fully stretched macromolecules. J. Polymer Sci. 13:43-55.
    • (1954) J. Polymer Sci. , vol.13 , pp. 43-55
    • Lifson, S.1    Katchalski, A.2
  • 35
    • 84924325317 scopus 로고
    • Polyelectrolytes
    • Katchalski, A. 1971. Polyelectrolytes. Pure Appl. Chem. 26:327-371.
    • (1971) Pure Appl. Chem. , vol.26 , pp. 327-371
    • Katchalski, A.1
  • 36
    • 20644431615 scopus 로고
    • Theory of solutions of molecules containing widely separated charges with special applications to zwitterions
    • Kirkwood, J. G. 1934. Theory of solutions of molecules containing widely separated charges with special applications to zwitterions. J. Chem. Phys. 7:351-361.
    • (1934) J. Chem. Phys. , vol.7 , pp. 351-361
    • Kirkwood, J.G.1
  • 37
    • 85050521214 scopus 로고
    • Biological applications of electrostatics calculations and Brownian dynamics simulations
    • Madura, J. D., M. E. Davis, M. K. Gilson, R. Wade, B. A. Luty, and J. A. McCammon. 1994. Biological applications of electrostatics calculations and Brownian dynamics simulations. Rev. Comp. Chem. 5:229-267.
    • (1994) Rev. Comp. Chem. , vol.5 , pp. 229-267
    • Madura, J.D.1    Davis, M.E.2    Gilson, M.K.3    Wade, R.4    Luty, B.A.5    McCammon, J.A.6
  • 39
    • 51149205529 scopus 로고
    • Calculation of thermodynamic properties of polyelectrolytes
    • Marcus, R. A. 1955. Calculation of thermodynamic properties of polyelectrolytes. J. Chem. Phys. 23:1057-1068.
    • (1955) J. Chem. Phys. , vol.23 , pp. 1057-1068
    • Marcus, R.A.1
  • 41
    • 0028246710 scopus 로고
    • Salt effects on ligand-DNA binding: Minor groove antibiotics
    • Misra, V. K., K. A. Sharp, R. A. G. Friedman, and B. Honig. 1994. Salt effects on ligand-DNA binding: minor groove antibiotics. J. Mol. Biol. 238:245-263.
    • (1994) J. Mol. Biol. , vol.238 , pp. 245-263
    • Misra, V.K.1    Sharp, K.A.2    Friedman, R.A.G.3    Honig, B.4
  • 42
    • 33845378291 scopus 로고
    • Ionic distributions near polyelectrolytes: A comparison of theoretical approaches
    • Murthy, C. S., R. J. Bacquet, and P. J. Rossky. 1985. Ionic distributions near polyelectrolytes: a comparison of theoretical approaches. J. Phys. Chem. 89:701-710.
    • (1985) J. Phys. Chem. , vol.89 , pp. 701-710
    • Murthy, C.S.1    Bacquet, R.J.2    Rossky, P.J.3
  • 44
    • 1442272764 scopus 로고
    • Theories of concentrated electrolytes
    • Onsager, L. 1933. Theories of concentrated electrolytes. Chem. Rev. 13: 73-89.
    • (1933) Chem. Rev. , vol.13 , pp. 73-89
    • Onsager, L.1
  • 45
    • 0025728614 scopus 로고
    • OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform
    • Pranata, J. S. G., S. G. Wierschke, and W. L. Jorgensen. 1991. OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform. J. Am. Chem. Soc. 113: 2810-2819.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 2810-2819
    • Pranata, J.S.G.1    Wierschke, S.G.2    Jorgensen, W.L.3
  • 47
    • 0030635208 scopus 로고    scopus 로고
    • Identification of a Conserved Hydrophobic Cluster in Partially Folded β-lactoglobulin at pH 2
    • Ragona, L., F. Pusterla, L. Zetta, H. L. Monaco, and H. Molinari. 1997. Identification of a Conserved Hydrophobic Cluster in Partially Folded β-lactoglobulin at pH 2. Folding and Design. 2:281-290.
    • (1997) Folding and Design , vol.2 , pp. 281-290
    • Ragona, L.1    Pusterla, F.2    Zetta, L.3    Monaco, H.L.4    Molinari, H.5
  • 48
    • 35648964150 scopus 로고
    • Variational approach to the electrostatic free energy in charged colloidal suspensions: General theory for open systems
    • Reiner, E. S., and C. J. Radke. 1990. Variational approach to the electrostatic free energy in charged colloidal suspensions: general theory for open systems. J. Chem. Soc. Faraday Trans. 86:3901-3912.
    • (1990) J. Chem. Soc. Faraday Trans. , vol.86 , pp. 3901-3912
    • Reiner, E.S.1    Radke, C.J.2
  • 49
    • 0007425498 scopus 로고    scopus 로고
    • Competitive electrostatic binding of charged ligands to polyelectrolytes: Planar and cylindrical geometries
    • Rouzina, I., and V. A. Bloomfield. 1996. Competitive electrostatic binding of charged ligands to polyelectrolytes: planar and cylindrical geometries. J. Phys. Chem. 100:4292-4304.
    • (1996) J. Phys. Chem. , vol.100 , pp. 4292-4304
    • Rouzina, I.1    Bloomfield, V.A.2
  • 50
    • 0029068766 scopus 로고
    • Polyelectrolyte electrostatics: Salt dependence, entropic and enthalpic contribution to free energy in the nonlinear Poisson-Boltzmann model
    • Sharp, K. A. 1995. Polyelectrolyte electrostatics: salt dependence, entropic and enthalpic contribution to free energy in the nonlinear Poisson-Boltzmann model. Biopolymers. 36:227-243.
    • (1995) Biopolymers , vol.36 , pp. 227-243
    • Sharp, K.A.1
  • 51
    • 33751552991 scopus 로고
    • Calculating total electrostatic energies with the nonlinear Poisson-Boltzmann equation
    • Sharp, K. A., and B. Honig. 1990. Calculating total electrostatic energies with the nonlinear Poisson-Boltzmann equation. J. Phys. Chem. 94: 7684-7692.
    • (1990) J. Phys. Chem. , vol.94 , pp. 7684-7692
    • Sharp, K.A.1    Honig, B.2
  • 52
    • 0023364022 scopus 로고
    • Computer simulation of the diffusion of a substrate to an active site of an enzyme
    • Sharp, K., R. Fine, and B. Honig. 1987. Computer simulation of the diffusion of a substrate to an active site of an enzyme. Science. 236: 1460-1463.
    • (1987) Science , vol.236 , pp. 1460-1463
    • Sharp, K.1    Fine, R.2    Honig, B.3
  • 53
    • 33751391391 scopus 로고
    • A local dielectric constant model for solvation free energies which accounts for solute polarizability
    • Sharp, K. A., A. Jean-Charles, and B. Honig. 1992. A local dielectric constant model for solvation free energies which accounts for solute polarizability. J. Phys. Chem. 96:3822-3828.
    • (1992) J. Phys. Chem. , vol.96 , pp. 3822-3828
    • Sharp, K.A.1    Jean-Charles, A.2    Honig, B.3
  • 54
    • 0029068766 scopus 로고
    • Polyelectrolyte electrostatics: Salt dependence, entropic and enthalpic contribution to free energy in the nonlinear Poisson-Boltzmann model
    • Sharp, K. A. 1995. Polyelectrolyte electrostatics: salt dependence, entropic and enthalpic contribution to free energy in the nonlinear Poisson-Boltzmann model. Biopolymers. 36:227-243.
    • (1995) Biopolymers , vol.36 , pp. 227-243
    • Sharp, K.A.1
  • 55
    • 0001419428 scopus 로고
    • The charged colloidal cylinder with a Gouy double layer
    • Stigter, D. 1975. The charged colloidal cylinder with a Gouy double layer. J. Colloid Interface Sci. 53:873-879.
    • (1975) J. Colloid Interface Sci. , vol.53 , pp. 873-879
    • Stigter, D.1
  • 56
    • 0018160087 scopus 로고
    • On the invariance of the charge of electrical double layers under dilution of the equilibrium electrolyte solution
    • Stigter, D. 1978. On the invariance of the charge of electrical double layers under dilution of the equilibrium electrolyte solution. Progr. Colloid and Polymer Sci. 65:45-52.
    • (1978) Progr. Colloid and Polymer Sci. , vol.65 , pp. 45-52
    • Stigter, D.1
  • 58
    • 0000510376 scopus 로고
    • Electrophoresis of spheroidal particles
    • Yoon, B. J., and S. Kim. 1989. Electrophoresis of spheroidal particles. J. Colloid Interface Sci. 128:275-288.
    • (1989) J. Colloid Interface Sci. , vol.128 , pp. 275-288
    • Yoon, B.J.1    Kim, S.2
  • 59
    • 0020707564 scopus 로고
    • Une longueur d'échelle pour les interfaces chargées
    • Weisbuch, G., and M. Gueron. 1983. Une longueur d'échelle pour les interfaces chargées. J. Phys. 44:251-256.
    • (1983) J. Phys. , vol.44 , pp. 251-256
    • Weisbuch, G.1    Gueron, M.2
  • 60
    • 33845556751 scopus 로고
    • Polyelectrolyte theory. III. The surface potential in mixed-salt solutions
    • Weisbuch, G., and M. Gueron. 1981. Polyelectrolyte theory. III. The surface potential in mixed-salt solutions. J. Phys. Chem. 85:517-525.
    • (1981) J. Phys. Chem. , vol.85 , pp. 517-525
    • Weisbuch, G.1    Gueron, M.2
  • 61
    • 0000281387 scopus 로고
    • Macromolecular electrostatic energy within the nonlinear Poisson-Boltzmann equation
    • Zhou, H.-X. 1994. Macromolecular electrostatic energy within the nonlinear Poisson-Boltzmann equation. J. Chem. Phys. 100:3152-3162.
    • (1994) J. Chem. Phys. , vol.100 , pp. 3152-3162
    • Zhou, H.-X.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.