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New applications of simulated annealing in X-ray crystallography and solution NMR

✍ Scribed by Axel T Brünger; Paul D Adams; Luke M Rice


Book ID
114329468
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
619 KB
Volume
5
Category
Article
ISSN
0969-2126

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Molecular dynamics simulation of a small, basic, all ␤-sheet cardiotoxin, CTX II, from Taiwan cobra venom, with proper treatment of long-range electrostatic interactions, was carried out to examine the backbone mobility of CTX II in solution and aid in interpretation of order parameters of C -H bond