Allosteric ligands have gained increasingly attention as potential therapeutic agents due to their higher target selectivity and lower toxicity compared to classic orthosteric ligands. Despite the great interest in the development of allosteric drugs as a new tactic in drug discovery, the understanding of ligand-protein interactions underlying allosteric binding represents a key challenge. Herein we introduce Alloscore, a web server that predicts the binding affinities of allosteric ligand-protein interactions. The method exhibited prominent performance in describing allosteric binding and could be useful in allosteric virtual screening and structural optimization of allosteric agonist/antagonist.
News
2015.10
AlloScore V1.02 is released.
2015.09
AlloScore is online for test.
2015.08
AlloScore prediction module is developed.
2014.07
AlloScore dataset is collected.
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