Scoring ligand similarity in structure-b
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Maria I. Zavodszky; Anjali Rohatgi; Jeffrey R. Van Voorst; Honggao Yan; Leslie A
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Article
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2009
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John Wiley and Sons
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English
β 534 KB
## Abstract Scoring to identify highβaffinity compounds remains a challenge in virtual screening. On one hand, proteinβligand scoring focuses on weighting favorable and unfavorable interactions between the two molecules. Ligandβbased scoring, on the other hand, focuses on how well the shape and che