Towards ligand docking including explicit interface water molecules.
Small molecule docking predicts the interaction of a small molecule ligand with a protein at atomic-detail accuracy including position and conformation the ligand but also conformational changes of the protein upon ligand binding. While successful in the majority of cases, docking algorithms includi...
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| Principais autores: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Public Library of Science (PLoS)
2013-01-01
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| Serier: | PLoS ONE |
| Online adgang: | http://europepmc.org/articles/PMC3695863?pdf=render |
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