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Volumn 17, Issue 1, 1996, Pages 57-66

Fast version of the structure adapted multipole method efficient calculation of electrostatic forces in protein dynamics

Author keywords

Electrostatic forces; Hierarchical multipole methods; Molecular dynamics; Protein dynamics; Structure adaptivity

Indexed keywords


EID: 0002536003     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029608024094     Document Type: Article
Times cited : (37)

References (13)
  • 1
    • 26744440015 scopus 로고
    • Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids
    • L. Charles, Brooks III, B. Montgomery Pettitt, and Martin Karplus. Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids. J. Chem. Phys., 83, 5897-5908 (1985).
    • (1985) J. Chem. Phys. , vol.83 , pp. 5897-5908
    • Charles, L.1    Brooks III, B.2    Pettitt, M.3    Karplus, M.4
  • 2
    • 0024795316 scopus 로고
    • The effects of truncating long-range forces on protein dynamics
    • R. J. Loncharich and B. R. Brooks. The effects of truncating long-range forces on protein dynamics. Proteins, 6, 32-45 (1989).
    • (1989) Proteins , vol.6 , pp. 32-45
    • Loncharich, R.J.1    Brooks, B.R.2
  • 4
    • 0000396658 scopus 로고
    • A fast algorithm for particle simulations
    • L. Greengard and V. Rohklin. A fast algorithm for particle simulations. J. Comp. Phys., 73, 325-348 (1987).
    • (1987) J. Comp. Phys. , vol.73 , pp. 325-348
    • Greengard, L.1    Rohklin, V.2
  • 6
    • 0042338563 scopus 로고
    • The parallel fast multipole algorithm in three dimensions
    • Dept. of Electrical Engineering, Duke University, Durham
    • James F. Leathrum and John A. Board. The parallel fast multipole algorithm in three dimensions. Technical report, Dept. of Electrical Engineering, Duke University, Durham (1992).
    • (1992) Technical Report
    • Leathrum, J.F.1    Board, J.A.2
  • 7
    • 34249919671 scopus 로고
    • Implementing the fast multipole method in three dimensions
    • K. E. Schmidt and M. A. Lee. Implementing the fast multipole method in three dimensions. J. Stat. Phys., 63, 1223-1235 (1991).
    • (1991) J. Stat. Phys. , vol.63 , pp. 1223-1235
    • Schmidt, K.E.1    Lee, M.A.2
  • 8
    • 5244247401 scopus 로고
    • Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbonded interactions
    • H. -Q. Ding, N. Karasawa and W. A. Goddard III. Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbonded interactions. J. Chem. Phys., 97, 4309-4315 (1992).
    • (1992) J. Chem. Phys. , vol.97 , pp. 4309-4315
    • Ding, H.Q.1    Karasawa, N.2    Goddard III, W.A.3
  • 9
    • 0000853232 scopus 로고
    • A structure adapted multipole method for electrostatic interactions in protein dynamics
    • C. Niedermeier and P. Tavan. A structure adapted multipole method for electrostatic interactions in protein dynamics. J. Chem. Phys., 101, 734-748 (1994).
    • (1994) J. Chem. Phys. , vol.101 , pp. 734-748
    • Niedermeier, C.1    Tavan, P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.