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Volumn 101, Issue 41, 1997, Pages 8349-8362

Continuum treatment of long-range interactions in free energy calculations. Application to protein-ligand binding

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ENZYMES; MACROMOLECULES; PROTEINS;

EID: 0031561292     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9711499     Document Type: Article
Times cited : (113)

References (85)
  • 19
    • 0022856734 scopus 로고
    • Free energy simulations
    • Beveridge, D., Jorgensen, W., Eds.; New York Academy of Sciences: New York
    • Mezei, M.; Beveridge, D. Free energy simulations. In Computer Simulation of Chemical and Biomolecular Systems; Beveridge, D., Jorgensen, W., Eds.; New York Academy of Sciences: New York, 1986; Vol. 482, pp 1-23.
    • (1986) Computer Simulation of Chemical and Biomolecular Systems , vol.482 , pp. 1-23
    • Mezei, M.1    Beveridge, D.2
  • 49
    • 4043174091 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Strasbourg, France
    • Eiler, S. Ph.D. Thesis, University of Strasbourg, France, 1997.
    • (1997)
    • Eiler, S.1
  • 60
    • 84986512474 scopus 로고
    • CHARMM: A program for macromolecular energy, minimization, and molecular dynamics calculations
    • Brooks, B.; Bruccoleri, R.; Olafson, B.; States, D.; Swaminathan, S.; Karplus, M. CHARMM: A program for macromolecular energy, minimization, and molecular dynamics calculations. J. Comput. Chem. 1983, 4, 187-217.
    • (1983) J. Comput. Chem. , vol.4 , pp. 187-217
    • Brooks, B.1    Bruccoleri, R.2    Olafson, B.3    States, D.4    Swaminathan, S.5    Karplus, M.6
  • 64
    • 4043100368 scopus 로고    scopus 로고
    • Unpublished work
    • Tidor, B. Unpublished work.
    • Tidor, B.1
  • 74
    • 0000152754 scopus 로고
    • A guide to Monte Carlo for statistical mechanics
    • Berne, B., Ed.; Plenum Press: New York
    • Valleau, J.; Torrie, G. A guide to Monte Carlo for statistical mechanics. In Modern Theoretical Chemistry; Berne, B., Ed.; Plenum Press: New York, 1977; Vol. 5.
    • (1977) Modern Theoretical Chemistry , vol.5
    • Valleau, J.1    Torrie, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.