Global optimization approaches in protein folding and peptide docking

The recent advances in genetic engineering, high powered computing and global optimization continue to stimulate interest in the area of molecular modeling and protein structure prediction. The goal of these eeorts is the ability to correctly predict native protein conformations and the binding interactions of macromolecules. These two problems currently dominate the eld of computational chemistry and, through the use of detailed molecular models, they have also greatly innuenced research in the area of global optimization. This article examines some aspects related to conformational energy modeling and reviews a variety of global optimization approaches developed for the protein folding and peptide docking problems.

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