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Volumn 105, Issue 5, 1996, Pages 1902-1921

Simulation of activation free energies in molecular systems

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[No Author keywords available]

Indexed keywords


EID: 0000036869     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472061     Document Type: Article
Times cited : (1192)

References (51)
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    • For a recent review that includes a wide range of applications, see J. B. Anderson, Adv. Chem. Phys. 91, 381 (1995).
    • (1995) Adv. Chem. Phys. , vol.91 , pp. 381
    • Anderson, J.B.1
  • 3
    • 0003039369 scopus 로고
    • edited by R. E. Christoferson Am. Chem. Soc., Washington, D.C.
    • C. H. Bennett, in Algorithms for Chemical Computation, edited by R. E. Christoferson (Am. Chem. Soc., Washington, D.C., 1977), p. 63.
    • (1977) Algorithms for Chemical Computation , pp. 63
    • Bennett, C.H.1
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    • 0000152754 scopus 로고
    • edited by B. J. Berne Plenum. New York
    • J. P. Valleau and G. M. Tome, in Statistical Mechanics, Part A edited by B. J. Berne (Plenum. New York, 1977), p. 137.
    • (1977) Statistical Mechanics , Issue.PART A , pp. 137
    • Valleau, J.P.1    Tome, G.M.2
  • 18
    • 85033864023 scopus 로고    scopus 로고
    • note
    • The term activation free energy used here is different from the standard use (see Ref. 5) and refers to the potential of mean force difference between the dividing surface and the minimum.
  • 33
    • 5844402153 scopus 로고
    • Ph.D. thesis, Harvard University
    • S. Fischer Ph.D. thesis, Harvard University 1992; S. Fischer and M. Karplus (unpublished).
    • (1992)
    • Fischer, S.1
  • 34
    • 85033838438 scopus 로고    scopus 로고
    • unpublished
    • S. Fischer Ph.D. thesis, Harvard University 1992; S. Fischer and M. Karplus (unpublished).
    • Fischer, S.1    Karplus, M.2
  • 40
    • 85033869892 scopus 로고
    • (b) J. A. McCammon and M. Karplus, 76, 3585 (1979)
    • (a) B. R. Gelin and M. Karplus, Proc. Natl. Acad. Sci. USA 72, 202 (1975) (b) J. A. McCammon and M. Karplus, 76, 3585 (1979)
    • (1975) Proc. Natl. Acad. Sci. USA , vol.72 , pp. 202
    • Gelin, B.R.1    Karplus, M.2
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    • 5844408353 scopus 로고
    • Ph.D. thesis, Harvard University
    • W. E. Reiher, Ph.D. thesis, Harvard University, 1985.
    • (1985)
    • Reiher, W.E.1
  • 51
    • 85033853488 scopus 로고    scopus 로고
    • Further details can be found in the CHARMM program, which can be obtained for a nominal fee by not-for-profit institutions from the CHARMM Development Project, 12 Oxford St., Harvard University, Cambridge, MA 02138. E-mail marci@tammy.harvard.edu
    • Further details can be found in the CHARMM program, which can be obtained for a nominal fee by not-for-profit institutions from the CHARMM Development Project, 12 Oxford St., Harvard University, Cambridge, MA 02138. E-mail marci@tammy.harvard.edu


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.