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Knowledge-based scoring function to predict protein-ligand interactions

✍ Scribed by Holger Gohlke; Manfred Hendlich; Gerhard Klebe

Book ID
115629883
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
474 KB
Volume
295
Category
Article
ISSN
0022-2836

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## Abstract We have developed an iterative knowledge‐based scoring function (ITScore) to describe protein–ligand interactions. Here, we assess ITScore through extensive tests on native structure identification, binding affinity prediction, and virtual database screening. Specifically, ITScore was f

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