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Ligand Pose and Orientational Sampling in Molecular Docking

Published Web Location

http://europepmc.org/articles/PMC3787967?pdf=render
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Abstract

Molecular docking remains an important tool for structure-based screening to find new ligands and chemical probes. As docking ambitions grow to include new scoring function terms, and to address ever more targets, the reliability and extendability of the o

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