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Volumn 43, Issue 4, 2007, Pages 1217-1220

New computational models for electrostatics of macromolecules in solvents

Author keywords

Electrostatics; Finite difference (FD) schemes; Flexible local approximation; Macromolecules; Poisson Boltzmann equation (PBE); Proteins

Indexed keywords

APPROXIMATION THEORY; ELECTROSTATICS; FINITE DIFFERENCE METHOD; PERMITTIVITY; POISSON EQUATION; PROTEINS;

EID: 33947659495     PISSN: 00189464     EISSN: None     Source Type: Journal    
DOI: 10.1109/TMAG.2006.890959     Document Type: Article
Times cited : (12)

References (15)
  • 1
    • 0037529067 scopus 로고    scopus 로고
    • Electrostatics and dynamics of proteins
    • T. Simonson, "Electrostatics and dynamics of proteins," Rep. Prog. Phys., vol. 66, no. 5, pp. 737-787, 2003.
    • (2003) Rep. Prog. Phys , vol.66 , Issue.5 , pp. 737-787
    • Simonson, T.1
  • 2
    • 0037080244 scopus 로고    scopus 로고
    • Rapid grid-based construction of the molecular-surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects
    • W. Rocchia, S. Sridharan, A. Nicholls, E. Alexov, A. Chiabrera, and B. Honig, "Rapid grid-based construction of the molecular-surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects," J. Comput. Chem., vol. 23, pp. 128-137, 2002.
    • (2002) J. Comput. Chem , vol.23 , pp. 128-137
    • Rocchia, W.1    Sridharan, S.2    Nicholls, A.3    Alexov, E.4    Chiabrera, A.5    Honig, B.6
  • 3
    • 0035964342 scopus 로고    scopus 로고
    • Electrostatics of nanosystems: Application to microtubules and the ribosome
    • Online, Available
    • N. A. Baker, D. Sept, S. Joseph, M. J. Holst, and J. A. McCammon, "Electrostatics of nanosystems: Application to microtubules and the ribosome," PNAS vol. 98, no. 18, pp. 10037-10041, 2001 [Online]. Available: http://www.pnas.org/cgi/content/abstract/98/18/10037
    • (2001) PNAS , vol.98 , Issue.18 , pp. 10037-10041
    • Baker, N.A.1    Sept, D.2    Joseph, S.3    Holst, M.J.4    McCammon, J.A.5
  • 4
    • 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," J. Comp. Chem., vol. 11, no. 9, pp. 1080-1086, 1990.
    • (1990) J. Comp. Chem , vol.11 , Issue.9 , pp. 1080-1086
    • Yoon, B.J.1    Lenhoff, A.M.2
  • 6
    • 23844526194 scopus 로고    scopus 로고
    • Electromagnetic application of a new finite-difference calculus
    • Jul
    • I. Tsukerman, "Electromagnetic application of a new finite-difference calculus," IEEE Trans. Magn., vol. 41, no. 7, pp. 2206-2225, Jul. 2005.
    • (2005) IEEE Trans. Magn , vol.41 , Issue.7 , pp. 2206-2225
    • Tsukerman, I.1
  • 7
    • 26944471129 scopus 로고    scopus 로고
    • A class of difference schemes with flexible local approximation
    • _, "A class of difference schemes with flexible local approximation," J. Comput. Phys., vol. 211, no. 2, pp. 659-699, 2006.
    • (2006) J. Comput. Phys , vol.211 , Issue.2 , pp. 659-699
    • Tsukerman, I.1
  • 8
    • 0032937077 scopus 로고    scopus 로고
    • Biomolecular electrostatics with the linearized Poisson-Boltzmann equation
    • F. Fogolari, P. Zuccato, G. Esposito, and P. Viglino, "Biomolecular electrostatics with the linearized Poisson-Boltzmann equation," J. Biophys., vol. 76, pp. 1-16, 1999.
    • (1999) J. Biophys , vol.76 , pp. 1-16
    • Fogolari, F.1    Zuccato, P.2    Esposito, G.3    Viglino, P.4
  • 9
    • 4444238115 scopus 로고    scopus 로고
    • Influence of the solvent structure on the electrostatic interactions in proteins
    • A. Rubinstein and S. Sherman, "Influence of the solvent structure on the electrostatic interactions in proteins," Biophys. J., vol. 87, pp. 1544-1557, 2004.
    • (2004) Biophys. J , vol.87 , pp. 1544-1557
    • Rubinstein, A.1    Sherman, S.2
  • 10
    • 0021813940 scopus 로고
    • On the calculation of electrostatic interactions in proteins
    • M. Gilson, A. Rashin, R. Fine, and B. Honig, "On the calculation of electrostatic interactions in proteins," J. Mol. Biol., vol. 183, pp. 503-516, 1985.
    • (1985) J. Mol. Biol , vol.183 , pp. 503-516
    • Gilson, M.1    Rashin, A.2    Fine, R.3    Honig, B.4
  • 11
    • 84988087911 scopus 로고
    • Calculating the electrostatic potential of molecules in solution: Method and error assessment
    • M. Gilson, K. Sharp, and B. Honig, "Calculating the electrostatic potential of molecules in solution: Method and error assessment," J. Comp. Chem., vol. 9, pp. 327-335, 1988.
    • (1988) J. Comp. Chem , vol.9 , pp. 327-335
    • Gilson, M.1    Sharp, K.2    Honig, B.3
  • 12
    • 0022964504 scopus 로고
    • Focusing of electric fields in the active site of Cu-Zn superoxide dismutase
    • I. Klapper, R. Hagstrom, R. Fine, K. Sharp, and B. Honig, "Focusing of electric fields in the active site of Cu-Zn superoxide dismutase," Proteins, vol. 1, pp. 47-59, 1986.
    • (1986) Proteins , vol.1 , pp. 47-59
    • Klapper, I.1    Hagstrom, R.2    Fine, R.3    Sharp, K.4    Honig, B.5
  • 13
    • 2342527858 scopus 로고    scopus 로고
    • Dynamics of water in biological recognition
    • S. K. Pal and A. H. Zewail, "Dynamics of water in biological recognition," Chem. Rev., vol. 104, pp. 2099-2123, 2004.
    • (2004) Chem. Rev , vol.104 , pp. 2099-2123
    • Pal, S.K.1    Zewail, A.H.2
  • 14
    • 0031335637 scopus 로고    scopus 로고
    • Continuum and dipole-lattice models of solvation
    • A. Papazyan and A. Warshel, "Continuum and dipole-lattice models of solvation," J. Phys. Chem. B, vol. 101, pp. 11254-11264, 1997.
    • (1997) J. Phys. Chem. B , vol.101 , pp. 11254-11264
    • Papazyan, A.1    Warshel, A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.