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Computational studies of ligand-water mediated interactions in ionotropic glutamate receptors

Abstract:

Careful treatment of water molecules in ligand-protein interactions is required in many cases if the correct binding pose is to be identified for molecular docking. Water can form complex bridging networks and can play a critical role in dictating the binding mode of ligands. A particularly striking example of this can be found in the ionotropic glutamate receptors (iGluRs), a family of ligand gated ion channels that are responsible for a majority of the fast synaptic neurotransmission in ...

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Institution:
University of Oxford
Research group:
Structural Bioinformatics and Computational Biochemistry Unit
Oxford college:
Hertford College
Department:
Medical Sciences Division - Biochemistry
Role:
Author

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Role:
Supervisor
Publication date:
2011
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
Oxford University, UK
URN:
uuid:b86d2f5a-3554-44c0-b985-5693241369ec
Local pid:
ora:5439

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