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Multi-Body Interactions in Molecular Docking Program Devised with Key Water Molecules in Protein Binding Sites
Water molecules play an important role in modeling protein-ligand interactions. However, traditional molecular docking methods often ignore the impact of the water molecules by removing them without any analysis or keeping them as a static part of the proteins or the ligands. Hence, the accuracy of...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6225211/ https://www.ncbi.nlm.nih.gov/pubmed/30208655 http://dx.doi.org/10.3390/molecules23092321 |