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Volumn 101, Issue 24, 1997, Pages 4851-4859

Distance dependent hydrogen bond potentials for nucleic acid base pairs from ab initio quantum mechanical calculations (LMP2/cc-pVTZ)

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001678824     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970199a     Document Type: Article
Times cited : (97)

References (53)
  • 31
    • 85086288189 scopus 로고    scopus 로고
    • note
    • 2a
  • 38
    • 5844355191 scopus 로고    scopus 로고
    • note
    • Distributed by Molecular Simulations Inc., San Diego, CA.
  • 40
    • 5844336985 scopus 로고    scopus 로고
    • note
    • Quantum mechanical calculations were performed on either HP 9000/735 CRX workstations, Cray C90 (San Diego Super Computer Center), or IBM SP2 (Cornell Theory Center). Molecular mechanics calculations were performed on either Silicon Graphics 4D/480 SMP server or Silicon Graphics Indigo2 Extreme workstations.
  • 41
    • 5844294901 scopus 로고    scopus 로고
    • note
    • true = -13.0 + 0.92 = -12.08 kcal/mol.
  • 50
    • 5844355192 scopus 로고    scopus 로고
    • note
    • The charges for HC1′ were set to 0.0800, and the charge at C1′ was adjusted so as to have a net neutral charge for each base.
  • 53
    • 0003458038 scopus 로고
    • Springer-Verlag; New York, Berlin, Heidleberg, Tokyo, and references therein
    • Saenger, W. Principles of Nucleic Acid Structure; Springer-Verlag; New York, Berlin, Heidleberg, Tokyo, 1984; pp 123-124, and references therein.
    • (1984) Principles of Nucleic Acid Structure , pp. 123-124
    • Saenger, W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.