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Volumn 101, Issue 19, 1997, Pages 3846-3853

Ab initio study of stacking interactions in A- and B-DNA

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001554001     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962626a     Document Type: Article
Times cited : (80)

References (92)
  • 4
    • 0001783322 scopus 로고
    • Eckstein, F., Lilley, D. M. J., Eds.; Springer-Verlag: Berlin
    • (b) Wang A. H. In Nucleic Acids and Molecular Biology; Eckstein, F., Lilley, D. M. J., Eds.; Springer-Verlag: Berlin, 1987; Vol. 1, pp 53-69.
    • (1987) Nucleic Acids and Molecular Biology , vol.1 , pp. 53-69
    • Wang, A.H.1
  • 6
    • 4043181098 scopus 로고
    • Ellis, G. P., West, G. B., Eds.; Elsevier: Amsterdam, Chapter 2
    • (d) Cheng, C. C. In Progress in Medicinal Chemistry; Ellis, G. P., West, G. B., Eds.; Elsevier: Amsterdam, 1988; Vol. 25, Chapter 2.
    • (1988) Progress in Medicinal Chemistry , vol.25
    • Cheng, C.C.1
  • 35
    • 4043135716 scopus 로고    scopus 로고
    • note
    • Insight II Computer Program, Biosym Technology, San Diego CA 1991. The preciseness of the fiber models obtained by Insight II was verified by comparison with those generated by NUCGEN-95 program developed by Kollman's research group at UCSF.
  • 42
    • 4043124570 scopus 로고    scopus 로고
    • note
    • The diffuse 6-31G(d) basis set is defined by using the standard basis set substituting the standard exponent of the d functions by 0.25.
  • 68
    • 4043159756 scopus 로고    scopus 로고
    • note
    • We have assumed in this paper that the MP2-HF difference is due only to dispersion interactions. This is an obvious simplification, but it is useful for discussion.
  • 71
    • 4043154062 scopus 로고    scopus 로고
    • note
    • Overestimation of stacking stability in classical calculations might be smaller than that deduced from inspection of Figure 3. This is due to die tendency of MP2/6-31G(d) calculations to underestimate dispersion interactions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.