@Inproceedings{Bac:Wil:CP2001, author = {Rolf Backofen and Sebastian Will}, title = {Fast, Constraint-based Threading of {HP}-Sequences to Hydrophobic Cores}, booktitle = {Proc. of the 7th International Conference on Principle and Practice of Constraint Programming (CP'2001)}, series = {Lecture Notes in Computer Science}, volume = {2239}, address = {Berlin}, publisher = {Springer--Verlag}, year = 2001, pages = {494--508}, isbn = {3-540-42863-1}, abstract = {Lattice protein models are used for hierarchical approaches to protein structure prediction, as well as for investigating principles of protein folding. So far, one has the problem that there exists no lattice that can model real protein conformations with good quality \emph{and} for which an efficient method to find native conformations is known. We present the first method for the FCC-HP-Model [Agarwala et al., JCB 97] that is capable of finding native conformations for real-sized HP-sequences. It has been shown [Park and Levitt, JMB 95] that the FCC lattice can model real protein conformations with coordinate root mean square deviation below 2 \AA. Our method uses a constraint-based approach. It works by first calculating maximally compact sets of points (hydrophobic cores), and then threading the given HP-sequence to the hydrophobic cores such that the core is occupied by H-monomers. }, user = {will} }