TransCent: computational enzyme design by transferring active sites and considering constraints relevant for catalysis

URN to cite this document:: urn:nbn:de:bvb:355-epub-109075
DOI to cite this document:: 10.5283/epub.10907

Fischer, André ; Enkler, Nils ; Neudert, Gerd ; Bocola, Marco ; Sterner, Reinhard ; Merkl, Rainer

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Date of publication of this fulltext: 18 Nov 2009 09:58

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Abstract

BACKGROUND: Computational enzyme design is far from being applicable for the general case. Due to computational complexity and limited knowledge of the structure-function interplay, heuristic methods have to be used. RESULTS: We have developed TransCent, a computational enzyme design method supporting the transfer of active sites from one enzyme to an alternative scaffold. In an optimization ...