Johannes Schmidt-Ehrenberg

Learn More
The bioactivity of a molecule strongly depends on its metastable conformational shapes and the transitions between these. Therefore, conformation analysis and visualization is a basic prerequisite for the understanding of biochemical processes.We present techniques for visual analysis of metastable molecular conformations. Core of these are flexibly(More)
We present a method for simultaneous dimension reduction and metastability analysis of high dimensional time series. The approach is based on the combination of hidden Markov models (HMMs) and principal component analysis. We derive optimal estimators for the log-likelihood functional and employ the Expectation Maximization algorithm for its numerical(More)
  • 1