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Ligand Pose and Orientational Sampling in Molecular Docking
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 orientation sampling, and the throughput of t...
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| Main Authors: | , , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Public Library of Science
2013
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3787967/ https://ncbi.nlm.nih.gov/pubmed/24098414 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0075992 |
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