메뉴 건너뛰기




Volumn 105, Issue 12, 1996, Pages 5145-5154

The Jacobian factor in free energy simulations

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000204832     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472358     Document Type: Article
Times cited : (64)

References (60)
  • 20
    • 33645799734 scopus 로고
    • Yale University Press, New Haven, CT
    • J. W. Gibbs, Collective Works, Vol. II (Yale University Press, New Haven, CT, 1948).
    • (1948) Collective Works , vol.2
    • Gibbs, J.W.1
  • 30
    • 84986512474 scopus 로고
    • The PERT module implemented by B. R. Brooks in CHARMM uses a single topology approach to free energy simulations. There seems to be some confusion about this in the literature; see, for example, Ref. 44
    • B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983). The PERT module implemented by B. R. Brooks in CHARMM uses a single topology approach to free energy simulations. There seems to be some confusion about this in the literature; see, for example, Ref. 44.
    • (1983) J. Comput. Chem. , vol.4 , pp. 187
    • Brooks, B.R.1    Bruccoleri, R.E.2    Olafson, B.D.3    States, D.J.4    Swaminathan, S.5    Karplus, M.6
  • 40
    • 0004107551 scopus 로고
    • Prentice-Hall, Englewood Cliffs, NJ
    • K. S. Pitzer, Quantum Chemistry (Prentice-Hall, Englewood Cliffs, NJ, 1953).
    • (1953) Quantum Chemistry
    • Pitzer, K.S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.