Journal
CURRENT OPINION IN STRUCTURAL BIOLOGY
Volume 11, Issue 2, Pages 231-235Publisher
CURRENT BIOLOGY LTD
DOI: 10.1016/S0959-440X(00)00195-0
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In virtual screening, small-molecule ligands are docked into protein binding sites and their binding affinity is predicted. Knowledge-based, regression-based and first-principle-based methods have been developed to rank computer-generated binding modes. As a result of stilt existing deficiencies, a best compromise might be the combination of several scoring schemes into a consensus scaring approach.
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