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Predicting binding modes, binding affinities and `hot spots' for protein-ligand complexes using a knowledge-based scoring function

✍ Scribed by Holger Gohlke; Manfred Hendlich; Gerhard Klebe


Book ID
110267600
Publisher
Springer
Year
2000
Tongue
English
Weight
326 KB
Volume
20
Category
Article
ISSN
0928-2866

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Accurately predicting the binding affinities of large sets of protein-ligand complexes efficiently is a key challenge in computational biomolecular science, with applications in drug discovery, chemical biology, and structural biology. Since a scoring function (SF) is used to score, rank, and identi