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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Detalles Bibliográficos
Autores principales: Jacquemard, Célien, Tran-Nguyen, Viet-Khoa, Drwal, Malgorzata N., Rognan, Didier, Kellenberger, Esther
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6681060/
https://www.ncbi.nlm.nih.gov/pubmed/31323745
http://dx.doi.org/10.3390/molecules24142610

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6681060/
https://www.ncbi.nlm.nih.gov/pubmed/31323745
http://dx.doi.org/10.3390/molecules24142610

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