Screen3D: A Novel Fully Flexible High-Throughput Shape-Similarity Search Method

Abstract

3D shape- or volume-based virtual screening is a broadly used approach in drug discovery. In recent years a large number of publications have appeared in which these tools were compared not only to competitive methods but to docking studies as well. Studies often showed that the effectiveness of docking could be highly variable due to a large number of… (More)
DOI: 10.1021/ci400620f

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