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Browsing by Author "Willems, Henrite M. G."
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De novo ligand design to partially flexible active sites : Application of the Reflex algorithm to carboxypeptidase A, acetylcholinesterase, and the estrogen receptor
Firth-Clark, Stuart; Kirton, Stewart B.; Willems, Henrite M. G.; Williams, Anthony (2008-02)Reflex is a recent algorithm in the de novo ligand design software, SkelGen, that allows the flexibility of amino acid side chains in a protein to be taken into account during the drug-design process. In this paper the ...