Prediction of protein side-chain conformation by packing optimiz

Details Prediction of protein side-chain conformation by packing optimiz Prediction of protein side-chain conformation by packing optimiz

1992-01-21

1993-08-31

Envall, Jr., Roy N.

Boots, shoes, and leggings

36441313, 436 86, G06F 1546

Patent

active

052414701

ABSTRACT:
A method is provided for determining the packing conformation of amino acid side chains on a fixed peptide backbone. Using a steric interaction potential, the side chain atoms are rotated about carbon-carbon bonds such that the side chains preferably settle in a low energy packing conformation. Rotational moves are continued according to a simulated annealing procedure until a set of low energy conformations are identified. These conformations represent the structure of the actual peptide. The method may be employed to identify the packing configuration of mutant peptides.

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