Lattice models folding optimization

The Lattice Model and Its Force Field Construction of the Starting Lattice Chain Restrained Lattice Folding Optimization of the Initial Model Building the Average Models Reconstruction of Detailed Atomic Models... 

Fold/optimize the lattice model using the threading alignment as a loosely defined structural template. 

D. Restrained Lattice Folding Optimization of the Initial Model... 

Hinds and Levitt developed an even coarser-grained model, which proved to emulate small proteins reasonably well, despite its simplicity. Multiple occupancies of lattice sites were permitted in the sense that zero to three residues were placed between the adjacent sites of a tetrahedral lattice. Exhaustive enumeration of all conformations for proteins occupying up to 40 vertices were possible by this approach. Optimal alignment of residues between vertices, elimination of extended conformations by a volume constraint, and evaluation of the resulting conformations on the basis of knowledge-based contact energies, led to folds that could capture the overall path of the native structures. 

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