A. Monge et al., AN ALGORITHM TO GENERATE LOW-RESOLUTION PROTEIN TERTIARY STRUCTURES FROM KNOWLEDGE OF SECONDARY STRUCTURE, Proceedings of the National Academy of Sciences of the United Statesof America, 91(11), 1994, pp. 5027-5029
An algorithm is described to assemble the three-dimensional fold of a
protein starting from its secondary structure. A reduced representatio
n of the polypeptide chain is used together with a crude potential bas
ed on pair hydrophobicities. The method is shown to be successful in l
ocating the native topology for two 4-alpha-helix bundles, myohemeryth
rin and cytochrome b-562.