메뉴 건너뛰기




Volumn 118, Issue 5, 2003, Pages 2039-2056

Continuum description of solvent dielectrics in molecular-dynamics simulations of proteins

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; COMPUTER SIMULATION; DIELECTRIC MATERIALS; ELECTRON ENERGY LEVELS; FINITE DIFFERENCE METHOD; INTEGRAL EQUATIONS; ITERATIVE METHODS; MOLECULAR STRUCTURE; PROTEINS; WATER;

EID: 0037327061     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1532730     Document Type: Article
Times cited : (13)

References (68)
  • 7
    • 0001227508 scopus 로고
    • edited by W. F. van Gunsteren, P. K. Weiner, and A. J. Wilkinson (ESCOM, Leiden)
    • P. E. Smith, and W. F. van Gunsteren, in Computer Simulation of Biomolecular Systems, edited by W. F. van Gunsteren, P. K. Weiner, and A. J. Wilkinson (ESCOM, Leiden, 1993), Vol. 2, pp. 182-212.
    • (1993) Computer Simulation of Biomolecular Systems , vol.2 , pp. 182-212
    • Smith, P.E.1    Van Gunsteren, W.F.2
  • 42
  • 49
    • 0013330076 scopus 로고    scopus 로고
    • note
    • Fiesta also allows to account for the presence of ions in the solvent continuum through self-consistent calculation of virtual charges and, thus, for a treatment of the linearized PB equation instead of the Poisson equation considered here. We will discuss a corresponding extension of our approach in a subsequent paper.
  • 55
  • 62
    • 0013384084 scopus 로고    scopus 로고
    • note
    • Our all atom BPTI model was derived by molecular modeling from the structure 4PTI (Ref. 59) of the Brookhaven protein data bank.
  • 68
    • 0042190790 scopus 로고
    • (Verlag Harri Deutsch, Frankfurt am Main, Thun)
    • W. Greiner, Klassische Elektrodynamik (Verlag Harri Deutsch, Frankfurt am Main, Thun, 1991).
    • (1991) Klassische Elektrodynamik
    • Greiner, W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.