The donor atom-π interaction of sulfur with flavin. A density functional investigation

Heteroatom Chemistry

Volumn 9, Issue 7, 1998, Pages 605-606

  Rotello, Vincent M ^a  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000478317     PISSN: 10427163     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1098-1071(1998)9:7<605::AID-HC2>3.0.CO;2-A     Document Type: Article

References (7)

1. G. A. Jeffrey, W. Saenger: Hydrogen Bonding in Biological Structures, Springer-Verlag, Berlin (1991).
2. C. Hunter, J. Sanders, J. Am. Chem. Soc., 112, 1990, 5525.
3. D. Dougherty, Science, 271, 1996, 163.
4. For a review of host-guest chemistry, see F. Diederich, Angew. Chem. Int. Ed. Engl., 27, 1988, 362-386.
5. E. Breinlinger, C. Keenan, V. Rotello, J. Am. Chem. Soc., in press.
6. For a recent study of the role of electrostatics in flavoenzyme chemistry, see Z. Zhou, R. Swenson, Biochemistry, 35, 1996, 12443-12454.
7. UHF and DFT-B3LYP calculations were performed using the Gaussian 94 suite of programs on Silicon Graphics workstations, at the B3LYP 6-31G*//HF 3-21G level.