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Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses

Ligand docking at a protein site can be improved by prioritizing poses by similarity to validated binding modes found in the crystal structures of ligand/protein complexes. The interactions formed in the predicted model are searched in each of the reference 3D structures, taken individually. We prop...

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書目詳細資料
發表在:Molecules
Main Authors: Jacquemard, Célien, Tran-Nguyen, Viet-Khoa, Drwal, Malgorzata N., Rognan, Didier, Kellenberger, Esther
格式: Artigo
語言:Inglês
出版: MDPI 2019
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC6681060/
https://ncbi.nlm.nih.gov/pubmed/31323745
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24142610
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