28th Hawaii International Conference on System Sciences (HICSS'95) Hawaii, USA January 04-January 07 ISBN: 0-8186-6921-7
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 Usage of this product signifies your acceptance of the Terms of Use. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||