Ab initio prediction of protein structure

It is well established that the sequence of the amino acid constituting a protein is of prime importance in the determination of its 3D structure and functional properties. Because 

It is shown that the incorrect structures have less stabilizing hydrogen bonding, electrostatic and van der Waals interactions. The incorrect structures also have a larger solvent accessible surface, and a greater fraction of hydrophobic side chain atoms exposed to the solvent. 

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STRUCTURE PREDICTION AND MOLECULAR DOCKING 15.2.1. Ab initio Prediction of Protein Structure... 

Srinivasan, R and Rose, G. D. (2002). Ab initio prediction of protein structure using LINUS. Proteins Structure, Function and Genetics, 47,489-95. 

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