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Volumn 103, Issue 4, 1999, Pages 714-726

Free energy perturbation study of octanol/water partition coefficients: Comparison with continuum GB/SA calculations

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000692122     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp984215v     Document Type: Review
Times cited : (91)

References (118)
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    • Leo, A. CLOGP; Daylight Chemical Information Systems, Mission Viejo, CA.
    • CLOGP
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    • Leo, A. Chem. Rev. 1993, 30, 1283-1306.
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    • Leo, A.1
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    • Pearlman, D. A., Case, D. A., Caldwell, J. C., Seibel, G. L., Singh, U. C., Weiner, P., Kollman, P. A., Eds.; University of California: San Francisco
    • Pearlman, D. A.; Case, D. A.; Caldwell, J. C.; Seibel, G. L.; Singh, U. C.; Weiner, P.; Kollman, P. A. AMBER 4.1; Pearlman, D. A., Case, D. A., Caldwell, J. C., Seibel, G. L., Singh, U. C., Weiner, P., Kollman, P. A., Eds.; University of California: San Francisco, 1993.
    • (1993) AMBER 4.1
    • Pearlman, D.A.1    Case, D.A.2    Caldwell, J.C.3    Seibel, G.L.4    Singh, U.C.5    Weiner, P.6    Kollman, P.A.7
  • 86
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    • Unpublished results
    • We have reparameterized the original water model in order to give better free energies of solvation when used in conjunction with the Merck molecular force field. Best, S. A.; Reynolds, C. H.; Merz, K. M., Jr. Unpublished results.
    • Best, S.A.1    Reynolds, C.H.2    Merz Jr., K.M.3
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    • Halgren, T.A.1
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.