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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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Bibliographic Details
Main Authors: Huggins, David J., Tidor, Bruce
Format: Artigo
Language:Inglês
Published: Oxford University Press 2011
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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