University of Konstanz
Graduiertenkolleg / PhD Program
Computer and Information Science

Graduation Talks

title

Molecular Event Detection

speaker

Iris Adä, University Konstanz
Konstanz, Germany

date & place

Wednesday, 27.06.2012, 15:15 h
Room C252

abstract

We introduce the problem of molecular event detec- tion as a challenging example of the general event detection problem. Molecular dynamics is a sci- ence concerned with calculating the movements of molecules over time. Molecular dynamics simula- tions are a lot more accurate then measurements. The generation of huge molecules over several time steps is now possible, even at a high resolution. The objective of molecular event detection is to detect various types of structural changes in the relation of these molecules over time. Existing molecular event detection methods are largely based on heuristic at- tempts to extract relevant features. We show how the EVE event detection framework can be system- atically configured for a number of molecular event types and demonstrate this on real world molecular dynamics data.