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

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Fischer, André ; Enkler, Nils ; Neudert, Gerd ; Bocola, Marco ; Sterner, Reinhard ; Merkl, Rainer
Date of publication of this fulltext: 18 Nov 2009 09:58


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 ...


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