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Atomic structure of the trypsin-cyclotheonamide A complex: lessons for the design of serine protease inhibitors

✍ Scribed by Lee, Angela Y.; Hagihara, Masahiko; Karmacharya, Rakesh; Albers, Mark W.; Schreiber, Stuart L.; Clardy, Jon


Book ID
126110430
Publisher
American Chemical Society
Year
1993
Tongue
English
Weight
256 KB
Volume
115
Category
Article
ISSN
0002-7863

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NMR three-dimensional solution structure
✍ Patricia A. McDonnell; Gary W. Caldwell; Gregory C. Leo; Brent L. Podlogar; Bruc πŸ“‚ Article πŸ“… 1997 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 99 KB πŸ‘ 2 views

The nmr solution conformation of cyclotheonamide A (CtA) was determined in aqueous media. The data produced 15 distance and 10 torsional constraints which were used to generate conformations using restrained simulated annealing (SA) and distance geometry/simulated annealing (DG/SA) calculations. Two