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- W2078348971 abstract "Here, we introduce a new approach to macromolecular docking which combines the continuous global optimization algorithm CGU [6, 21] with the grid-based conformational search engine DOT [23]. We also detail the use of this method to dock acetylcholine into the fasciculin-acetylcholinesterase complex. Fasciculin blocks access to the long, narrow pathway leading to the active site, which is located in the interior of the acetylcholinesterase. For this reason, flnding the location computationally is rather non-trivial. We not only successfully identifled the optimal docking conflguration, but were able to do so in a matter of hours." @default.
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- W2078348971 date "1999-04-01" @default.
- W2078348971 modified "2023-09-27" @default.
- W2078348971 title "Coupled optimization in protein docking" @default.
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- W2078348971 doi "https://doi.org/10.1145/299432.299502" @default.
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