메뉴 건너뛰기




Volumn 7 VOLS, Issue , 2005, Pages 7591-7595

An accurate surface formulation for biomolecule electrostatics in non-ionic solutions

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); INTEGRAL EQUATIONS; IONS; MATHEMATICAL MODELS; MOLECULAR BIOLOGY; PROBLEM SOLVING; SOLVENTS;

EID: 33846939331     PISSN: 05891019     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/iembs.2005.1616269     Document Type: Conference Paper
Times cited : (9)

References (31)
  • 5
    • 0001031179 scopus 로고
    • Proteins: A theoretical perspective of dynamics, structure and thermodynamics
    • C. L. Brooks, III, M. Karplus, and B. M. Pettitt, "Proteins: A theoretical perspective of dynamics, structure and thermodynamics," Adv. Chem. Phys., vol. 71, pp. 1-249, 1988.
    • (1988) Adv. Chem. Phys , vol.71 , pp. 1-249
    • Brooks III, C.L.1    Karplus, M.2    Pettitt, B.M.3
  • 7
    • 0001458825 scopus 로고
    • The aqueous solvation of water: A comparison of continuum methods with molecular dynamics
    • S. W. Rick and B. J. Berne, "The aqueous solvation of water: A comparison of continuum methods with molecular dynamics," Journal of the American Chemical Society, vol. 116, pp. 3949-3954, 1994.
    • (1994) Journal of the American Chemical Society , vol.116 , pp. 3949-3954
    • Rick, S.W.1    Berne, B.J.2
  • 8
    • 33947468892 scopus 로고
    • Theory of protein titration curves I. general equations for impenetrable spheres
    • C. Tanford and J. G. Kirkwood, "Theory of protein titration curves I. general equations for impenetrable spheres," Journal of the American Chemical Society, vol. 59, pp. 5333-5339, 1957.
    • (1957) Journal of the American Chemical Society , vol.59 , pp. 5333-5339
    • Tanford, C.1    Kirkwood, J.G.2
  • 9
    • 0029016182 scopus 로고
    • Classical electrostatics in biology and chemistry
    • B. Honig and A. Nicholls, "Classical electrostatics in biology and chemistry," Science (Washington, D.C.), vol. 268, pp. 1144-1149, 1995.
    • (1995) Science (Washington, D.C.) , vol.268 , pp. 1144-1149
    • Honig, B.1    Nicholls, A.2
  • 10
    • 0020475509 scopus 로고
    • Calculation of the electric potential in the active site cleft due to alpha-helix dipoles
    • J. Warwicker and H. C. Watson, "Calculation of the electric potential in the active site cleft due to alpha-helix dipoles," Journal of Molecular Biology, vol. 157, pp. 671-679, 1982.
    • (1982) Journal of Molecular Biology , vol.157 , pp. 671-679
    • Warwicker, J.1    Watson, H.C.2
  • 12
    • 0021813940 scopus 로고
    • On the calculation of electrostatic interactions in proteins
    • M. K. Gilson, A. Rashin, R. Fine, and B. Honig, "On the calculation of electrostatic interactions in proteins," Journal of Molecular Biology, vol. 183, pp. 503-516, 1985.
    • (1985) Journal of Molecular Biology , vol.183 , pp. 503-516
    • Gilson, M.K.1    Rashin, A.2    Fine, R.3    Honig, B.4
  • 13
    • 0022964504 scopus 로고
    • Focusing of electric fields in the active site of Cu-Zn Superoxide dismutase: Effects of ionic strength and amino-acid modification
    • I. Klapper, R. Hagstrom, R. Fine, K. Sharp, and B. Honig, "Focusing of electric fields in the active site of Cu-Zn Superoxide dismutase: Effects of ionic strength and amino-acid modification," Proteins: Structure., Function, Genetics, vol. 1, pp. 47-59, 1986.
    • (1986) Proteins: Structure., Function, Genetics , vol.1 , pp. 47-59
    • Klapper, I.1    Hagstrom, R.2    Fine, R.3    Sharp, K.4    Honig, B.5
  • 14
    • 84962478456 scopus 로고
    • A boundary element method for molecular electrostatics with electrolyte effects
    • B. J. Yoon and A. M. Lenhoff, "A boundary element method for molecular electrostatics with electrolyte effects," Journal of Computational Chemistry, vol. 11, no. 9, pp. 1080-1086, 1990.
    • (1990) Journal of Computational Chemistry , vol.11 , Issue.9 , pp. 1080-1086
    • Yoon, B.J.1    Lenhoff, A.M.2
  • 16
    • 0035913537 scopus 로고    scopus 로고
    • Extending the applicability of the nonlinear Poisson-Boltzmann equation: Multiple dielectric constants and multivalent ions
    • W. Rocchia, E. Alexov, and B. Honig, "Extending the applicability of the nonlinear Poisson-Boltzmann equation: Multiple dielectric constants and multivalent ions," Journal of Physical Chemistry B, vol. 105, pp. 6507-6514, 2001.
    • (2001) Journal of Physical Chemistry B , vol.105 , pp. 6507-6514
    • Rocchia, W.1    Alexov, E.2    Honig, B.3
  • 19
    • 0010924035 scopus 로고
    • Interaction of a biomolecule with ions in aqueous solution: Comparison of three fast approximate methods with the direct solution of the nonlinear Poisson-Boltzmann equation
    • Y. N. Vorobjev and H. A. Scheraga, "Interaction of a biomolecule with ions in aqueous solution: Comparison of three fast approximate methods with the direct solution of the nonlinear Poisson-Boltzmann equation," Journal of Physical Chemistry, vol. 97, pp. 4855-4864, 1993.
    • (1993) Journal of Physical Chemistry , vol.97 , pp. 4855-4864
    • Vorobjev, Y.N.1    Scheraga, H.A.2
  • 22
    • 1242286708 scopus 로고
    • Efficient three-dimensional capacitance extraction,
    • Ph.D. dissertation, Massachusetts Institute of Technology
    • K. Nabors, "Efficient three-dimensional capacitance extraction," Ph.D. dissertation, Massachusetts Institute of Technology, 1993.
    • (1993)
    • Nabors, K.1
  • 23
    • 46549096170 scopus 로고
    • Rapid solution of integral equation of classical potential theory
    • V. Rokhlin, "Rapid solution of integral equation of classical potential theory," Journal of Computational Physics, vol. 60, pp. 187-207, 1985.
    • (1985) Journal of Computational Physics , vol.60 , pp. 187-207
    • Rokhlin, V.1
  • 24
    • 0000048673 scopus 로고
    • GMRES: A generalized minimal residual algorithm for solving nonsymmetric linear systems
    • Y. Saad and M. Schultz, "GMRES: A generalized minimal residual algorithm for solving nonsymmetric linear systems," SIAM Journal of Scientific and Statistical Computing, vol. 7, pp. 856-869, 1986.
    • (1986) SIAM Journal of Scientific and Statistical Computing , vol.7 , pp. 856-869
    • Saad, Y.1    Schultz, M.2
  • 25
    • 0000151061 scopus 로고
    • Precon ditioned, adaptive, multipole-accelerated iterative methods for three-dimensional first-kind integral equations of potential theory
    • K. Nabors, F. T. Korsmeyer, F. T. Leighton, and J. White, "Precon ditioned, adaptive, multipole-accelerated iterative methods for three-dimensional first-kind integral equations of potential theory," SIAM Journal on Scientific Computing, vol. 15, no. 3, pp. 713-735, 1994.
    • (1994) SIAM Journal on Scientific Computing , vol.15 , Issue.3 , pp. 713-735
    • Nabors, K.1    Korsmeyer, F.T.2    Leighton, F.T.3    White, J.4
  • 27
    • 0002623248 scopus 로고
    • Calculation of non-lifting potential flow about arbitrary three-dimensional bodies
    • J. L. Hess and A. M. O. Smith, "Calculation of non-lifting potential flow about arbitrary three-dimensional bodies," Journal of Ship Research, vol. 8, no. 2, pp. 22-44, 1962.
    • (1962) Journal of Ship Research , vol.8 , Issue.2 , pp. 22-44
    • Hess, J.L.1    Smith, A.M.O.2
  • 28
    • 0022583140 scopus 로고
    • Distribution of sources and normal dipoles over a quadrilateral panel
    • J. N. Newman, "Distribution of sources and normal dipoles over a quadrilateral panel," Journal of Engineering Mathematics, vol. 20, pp. 113-126, 1986.
    • (1986) Journal of Engineering Mathematics , vol.20 , pp. 113-126
    • Newman, J.N.1
  • 31
    • 0028074974 scopus 로고
    • Protein-protein recognition: Crystal structural analysis of a barnase-barstar complex at 2.0-å resolution
    • A. M. Buckle, G. Schreiber, and A. R. Fersht, "Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-å resolution," Biochemistry, vol. 33, pp. 8878-8889, 1994.
    • (1994) Biochemistry , vol.33 , pp. 8878-8889
    • Buckle, A.M.1    Schreiber, G.2    Fersht, A.R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.