Structural fluctuations of a cryptophane host: A molecular dynamics simulation

Journal of the American Chemical Society

Volumn 118, Issue 13, 1996, Pages 3237-3246

  Kirchhoff, P D ^a   Bass, M B ^a   Hanks, B A ^a   Briggs, J M ^a   Collet, Andre ^a   McCammon, J A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; MOLECULAR DYNAMICS; REACTION KINETICS; SIMULATION;

AROMATIC HOSTS; BINDING KINETICS; CRYPTOPHANE;

AROMATIC COMPOUNDS;

MACROCYCLIC COMPOUND;

ALGORITHM; ARTICLE; COMPLEX FORMATION; DRUG STRUCTURE; MOLECULAR DYNAMICS;

EID: 0030567351     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja953772h     Document Type: Article

References (4)

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2. Schulz, W. W.; Bray, L. A. Sep. Sci. Technol. 1987, 22, 191-214.
3. Marrone, T. J.; Merz, J. K. M. J. Am. Chem. Soc. 1992, 114, 7542-7549.
4. Marrone, T. J.; Merz, J. K. M. J. Am. Chem. Soc. 1995, 117, 779-791.