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28th Hawaii International Conference on System Sciences (HICSS'95)
Hawaii, USA
January 04-January 07
ISBN: 0-8186-6921-7
E. Platt, Proteus Molecular Design Ltd., Macclesfield, UK
B. Robson, Proteus Molecular Design Ltd., Macclesfield, UK
Like secondary structure prediction, we believe that tertiary structure prediction should also be automatic, and hence reproducible. A fully automatic protocol called HOM FOLD, for modelling proteins by homology using a fragment-based approach, is described. This paper describes the performance of the basic algorithm. Written in the GLOBAL language, it is a simple matter to add further knowledge and expertise as new rules in the protocol. The protocol was intended to be, and is normally used as, a first step only, with more elaborate algorithms for energy refinement to be applied subsequently in the context of a higher-level protocol. However, structures in agreement within 1.80 /spl Aring/ X-ray crystallographic data can be achieved that are at least as good as that obtained by interactive modelling and refinement.
Index Terms:
proteins; biology computing; molecular configurations; molecular biophysics; fully automatic homology-based protein modelling protocol; tertiary structure prediction; HOM FOLD; fragment-based approach; algorithm performance; GLOBAL language; rule based system; energy refinement; X-ray crystallographic data; interactive modelling; reproducibilty; 1.80 angstrom
Citation:
E. Platt, B. Robson, "Practical use of a fully automatic homology-based protein modelling protocol," hicss, pp.325, 28th Hawaii International Conference on System Sciences (HICSS'95), 1995
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