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Dynamic Docking: A Paradigm Shift in Computational Drug Discovery
Molecular docking is the methodology of choice for studying in silico protein-ligand binding and for prioritizing compounds to discover new lead candidates. Traditional docking simulations suffer from major limitations, mostly related to the static or semi-flexible treatment of ligands and targets....
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| Publicado en: | Molecules |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI
2017
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6150405/ https://ncbi.nlm.nih.gov/pubmed/29165360 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules22112029 |
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