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Systematic placement of structural water molecules for improved scoring of protein–ligand interactions
Structural water molecules are found in many protein–ligand complexes. They are known to be vital in mediating hydrogen-bonding interactions and, in some cases, key for facilitating tight binding. It is thus very important to consider water molecules when attempting to model protein–ligand interacti...
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| Main Authors: | , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
Oxford University Press
2011
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3170077/ https://ncbi.nlm.nih.gov/pubmed/21771870 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/protein/gzr036 |
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