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A Docking Score Function for Estimating Ligand−Protein Interactions: Application to Acetylcholinesterase Inhibition

✍ Scribed by Guo, Jianxin; Hurley, Margaret M.; Wright, Jeffery B.; Lushington, Gerald H.


Book ID
121423597
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
270 KB
Volume
47
Category
Article
ISSN
0022-2623

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✍ Eckart Bindewald; Jeffrey Skolnick 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 178 KB

## Abstract We present a docking method that uses a scoring function for protein–ligand docking that is designed to maximize the docking success rate for low‐resolution protein structures. We find that the resulting scoring function parameters are very different depending on whether they were optim