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Combining fragment docking with graph theory to improve ligand docking for homology model structures
Computational protein–ligand docking is well-known to be prone to inaccuracies in input receptor structures, and it is challenging to obtain good docking results with computationally predicted receptor structures (e.g. through homology modeling). Here we introduce a fragment-based docking method and...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7544562/ https://www.ncbi.nlm.nih.gov/pubmed/33034007 http://dx.doi.org/10.1007/s10822-020-00345-7 |