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Volumn 101, Issue 28, 1997, Pages 5573-5582

Semiclassical-continuum approach to the electrostatic free energy of solvation

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; AMINO ACIDS; APPROXIMATION THEORY; ELECTROSTATICS; PERTURBATION TECHNIQUES; POLARIZATION; QUANTUM THEORY;

EID: 0031190379     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9617229     Document Type: Article
Times cited : (32)

References (90)
  • 4
    • 84962367344 scopus 로고
    • Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York
    • (c) Gao, J. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1995; Vol. 7, p 119
    • (1995) Reviews in Computational Chemistry , vol.7 , pp. 119
    • Gao, J.1
  • 17
    • 5544317642 scopus 로고
    • Broer, R., Aerts, P. J. C., Bagus, P. S., Eds.; Van Denderen B. V.: Groningen
    • (d) van Duijnen, P. T. In New Challenges in Computational Quantum Chemistry; Broer, R., Aerts, P. J. C., Bagus, P. S., Eds.; Van Denderen B. V.: Groningen, 1994; p 71
    • (1994) New Challenges in Computational Quantum Chemistry , pp. 71
    • Van Duijnen, P.T.1
  • 43
    • 0001389474 scopus 로고
    • (d) Carlson, H. A.; Jorgensen, W. L. J. Phys. Chem. 1995, 99, 10667. Åqvist, J.; Medina, C.; Samuelsson, J.-E. Protein Eng. 1994, 7, 385
    • (1995) J. Phys. Chem. , vol.99 , pp. 10667
    • Carlson, H.A.1    Jorgensen, W.L.2
  • 58
    • 0004117434 scopus 로고
    • Dept. of Chemistry, Univ. of Toronto, Canada; version modified by Cammi, R., Bonaccorsi, R., Tomasi, J. and by Luque, F. J., Orozco, M. 1995
    • Peterson, M.; Poirier, R. MONSTERGAUSS; Dept. of Chemistry, Univ. of Toronto, Canada; version modified by Cammi, R., Bonaccorsi, R., Tomasi, J. 1987; and by Luque, F. J., Orozco, M. 1995.
    • (1987) MONSTERGAUSS
    • Peterson, M.1    Poirier, R.2
  • 64
    • 84986533294 scopus 로고
    • A factor of -0.0767 kcal/(mol Å2) was used for those small surface elements not specifically assigned to any real atom in the building up of the solvent-excluded surface. See: Floris, F. M.; Tomasi, J.; Pascual-Ahuir, J. L. J. Comput. Chem. 1991, 12, 784.
    • (1991) J. Comput. Chem. , vol.12 , pp. 784
    • Floris, F.M.1    Tomasi, J.2    Pascual-Ahuir, J.L.3
  • 71
    • 84962359885 scopus 로고
    • Biosym Technologies, Co.: San Diego
    • InsightII; Biosym Technologies, Co.: San Diego, 1991.
    • (1991) InsightII
  • 80
    • 24544469216 scopus 로고
    • (a) Leo, A. Chem. Rev. 1993, 93, 1281.
    • (1993) Chem. Rev. , vol.93 , pp. 1281
    • Leo, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.