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Ab initio protein foldings - is conformational space searching enough?

Olszewski K.A.

Polish Journal of Chemistry

1998

Vol. 72, nr 7S

1667-1679

Ab initio protein folding is a common name for protein structure prediction approaches, that explore the conformational space of a protein using a model of a protein and a simple, carefully designed, potential energy function. Attempts to predict the native state of the protein or to reproduce the folding pathway from a set of simple rules are essential for an understanding of the physico-chemical rules that govern the folding process. Noteworthy, a number of new techniques for protein structure/function prediction that widen the search space and the meaning of the potential energy function have emerged. In this paper the variety of approaches to protein structure or function prediction are discussed and classified with respect to their distribution in the general protein sequence-structure space.