K. Koch,
F. Zöllner, and G. Sagerer:
Building a new rotamer library
for protein-protein docking using energy calculations and statistical
approaches.
In Computer Science and Biology:
Proceedings of the German Conference on Bioinformatics, pages
201--202, Braunschweig, Oktober 2001.
The flexibility of amino acid side chain is important for flexible
protein docking algorithms. These information can be purchased
by scoring different conformations of a side chain by using
energy or statistical analysis of side chain changes. Energy
minima are calculated (using the AMBER forcefield) and compared
to results of the statistical approach. To gain a measurement
for flexibility, protein structures of complexed and unbound
proteins are compared to detect rotamer changes and torsion
angle differences.