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Similarity versus docking in 3D virtual screening

✍ Scribed by Jordi Mestres; Ronald M.A. Knegtel

Book ID
110267706
Publisher
Springer
Year
2000
Tongue
English
Weight
136 KB
Volume
20
Category
Article
ISSN
0928-2866

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✍ Maria I. Zavodszky; Anjali Rohatgi; Jeffrey R. Van Voorst; Honggao Yan; Leslie A πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 534 KB

## Abstract Scoring to identify high‐affinity compounds remains a challenge in virtual screening. On one hand, protein–ligand scoring focuses on weighting favorable and unfavorable interactions between the two molecules. Ligand‐based scoring, on the other hand, focuses on how well the shape and che