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
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## Abstract Scoring to identify highโaffinity compounds remains a challenge in virtual screening. On one hand, proteinโligand scoring focuses on weighting favorable and unfavorable interactions between the two molecules. Ligandโbased scoring, on the other hand, focuses on how well the shape and che