Interactive essential dynamics.
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.
Mongan
John
J
Bioinformatics Program, NSF Center for Theoretical Biological Physics, University of California at San Diego, La Jolla, CA 92093-0365, USA. jmongan@mccammon.ucsd.edu
D003198:Computer Simulation; D008958:Models, Molecular; D011506:Proteins / Q000737:chemistry; D012984:Software; D013816:Thermodynamics; D014584:User-Computer Interface
D011506:Proteins