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A COMPARISON OF TWO TECHNIQUES FOR THE CALCULATION OF MULTIPLE-OBJECT WRAPPING PATHS

✍ Scribed by Stuart Marsden; David Swailes; Garth Johnson

Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
121 KB
Volume
41
Category
Article
ISSN
0021-9290

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Recently the basic theory of essential dynamics, a method for extracting large concerted motions from protein molecular dynamics trajectories, was described. Here, we introduce and test new aspects. A method for diagonalizing large covariance matrices is presented. We show that it is possible to per