“Visualizing molecular uncertainty: a path to the path” by Dabdoub, Mohan and Ray
Conference:
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Title:
- Visualizing molecular uncertainty: a path to the path
Presenter(s)/Author(s):
Abstract:
The function of any protein is intimately connected with both its structure, and changes in that structure. Visualizing the motions a protein undergoes during structural and functional changes, assists in understanding the functional capabilities of the protein. We have previously (SIGGraph 2006) proposed MoFlow, as a visualization tool for conveying molecular motion in fashion more informative to the end bio/life-sciences researcher, than was possible with previous state-of-the art tools. When deployed, it became immediately obvious that MoFlow not only enhanced understanding for the users, but enabled them to ask questions about the motions that were previously unapproachable in canonical representations. With the ability to more intuitively understand concerted molecular motion, users immediately wanted to compare molecular trajectories, to identify regions of similarity and difference amongst families of motion, and to visualize the qualitative and quantitative comparisons. In this work we present the results of our preliminary work at addressing these new research topics.
