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Fully Flexible Ligand Docking for the P2X7 Receptor Using ROSIE
Sudad Dayl1, Ralf Schmid2,3
1Department of Chemistry, College of Science, University of Baghdad, Baghdad, Iraq.
Abstract:
The availability of P2X7 receptor structures with allosteric antagonists bound enables us to predict specific interactions between receptor and antagonists at atomistic detail. In this chapter we outline how modern ligand docking techniques can be employed by the nonexpert to predict putative binding modes for known or hypothetical allosteric P2X7 antagonists.
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