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Towards improving compound selection in structure-based virtual screening

✍ Scribed by Bohdan Waszkowycz

Book ID
113568835
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
970 KB
Volume
13
Category
Article
ISSN
1359-6446

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## 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