Quantifying water-mediated protein-ligand interactions in a glutamate receptor: a DFT study.
It is becoming increasingly clear that careful treatment of water molecules in ligand-protein interactions is required in many cases if the correct binding pose is to be identified in molecular docking. Water can form complex bridging networks and can play a critical role in dictating the binding mo...
Main Authors: | , |
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Format: | Journal article |
Language: | English |
Published: |
2011
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