【摘 要】
：
As a method of searching for ligands capable of binding a target bioamacromolecule using a computer,a computational method is known,in which,based on three-dimensional data concerning a ligand-binding
【机 构】
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Exploratory Research Div.Astellas Research Technologies Japan
【出 处】
：
中国上海第七届国际新药发明科技年会
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As a method of searching for ligands capable of binding a target bioamacromolecule using a computer,a computational method is known,in which,based on three-dimensional data concerning a ligand-binding site located in the target biomacromolecule and a ligand,a valid binding state of the ligand and its docking score are calculated using a docking method,and this calculation is sequentially repeated for each of plural ligands,to find a ligand having a possibility to bind or to screen out a compound not having a possibility to bind.This method is called a virtual screening or an in silico screening.
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