Cargando…
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...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
|
| Materias: | |
| 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 |