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Published on: December 16, 2010
Interactive essential dynamics
1Bioinformatics Program, NSF Center for Theoretical Biological Physics, University of California at San Diego, La Jolla, CA 92093-0365, USA. jmongan@mccammon.ucsd.edu
Abstract:
Essential dynamics (ED) is a useful method for analyzing trajectories generated by molecular dynamics (MD), but current tools are awkward to use, limiting the usefulness of the technique. This paper describes a new interactive graphical interface for visualization of ED results, including filtering a trajectory on an arbitrary set of eigenvectors and manipulation of a structure's projection along any eigenvector.
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