Oliver Passon, Maik Boltes, Stefan Birmanns, Herwig Zilken, and Willy Wriggers. Laplace-Filter Enhanced Haptic Rendering of Biomolecules. In: Proceedings Vision Modeling and Visualization, G. Greiner, J. Hornegger, H. Niemann, M. Stamminger, Editors, 2005, pp. 311-318 & 516, IOS Press, Netherlands, ISBN 1-58603-569-X.
The modeling of large biomolecular assemblies frequently requires a combination of multi-resolution data from a variety of biophysical sources. Several algorithmic solutions to this docking problem have been proposed which are usually based on the spatial cross correlation. In [W. Wriggers and P. Chacon, J. Mol. Biol. 317, 375-384 (2002)] it was shown that Laplace-filtering techniques can improve the docking performance of these algorithms. This note presents the implementation and first results of the Laplace-filter enhanced fitting into the interactive SenSitus program, which supports the docking by virtual reality (VR) techniques (3D-stereoscopic view and haptic rendering). This implementation has to consider the special needs of the interactive rendering strategy. We employ reduced models using vector quantization to achieve the required force update rate.
