University of Heidelberg
Faculty of Medicine Mannheim
University Hospital Mannheim
News
Alena-Kathrin Schnurr presented on our research on AI in medical imaging @ Research Plus forum
read more
Dr. Mathias Davids wins the I. I. Rabi Award of the International Society for Magnetic Resonance in Medicine (ISMRM),
read more, article in local newspaper (Mannheimer Morgen)
Keine Gesundheitsgefährdung für Frauen mit implantierten kupferhaltigen Verhütungsmitteln bei der MRT,
read more
Note


If you have questions concerning a specific publication please use this form with subject 'information about publications' and giving the full citation in the message body.

Links
Home > Publications > Abstract >

{C}alculating {R}esidue {F}lexibility {I}nformation from {S}tatistics and {E}nergy based {P}rediction

F. Zöllner, S. Neumann, K. Koch, F. Kummert and G. Sagerer

European Conference on Computational Biology 2002, Poster Abstracts,, pp.275-276

Fast Docking algorithms usually employ the rigid-body assumption \citeAck98,ewing2001. They score geometric complementarity as well as physico-chemical features. However, for unbound protein docking steric clashes might impose wrong penalization if side-chains change their conformation during the docking process. Using elasticity information obtained through energy calculations and statistics, we introduce a flexibility measure that combines the two. We reduce the influence of steric clash for side chains that are likely to change when scoring docking constellations.

Contact: Prof. Dr. Frank Zöllner last modified: 18.11.2019
to top of page