Prediction of protein side-chain conformation by packing optimization
US5241470A · kind A · utility
32Cited by
8References
26Claims
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Key dates
| Filing date | Jan 21, 1992 |
| Grant date | Aug 31, 1993 |
| Priority date | — |
| Expiry date | Jan 21, 2012 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B15/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
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.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.