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Systems and Methods for Predicitng Ligand-Protein Binding Interactions
Systems and Methods for Predicitng Ligand-Protein Binding Interactions
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机译:预测配体-蛋白质结合相互作用的系统和方法
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摘要
The present invention provides methods for designing molecules with affinity for target proteins. More particularly, the present invention provides systems and methods for docking fragment molecules to target protein binding sites. The systems and methods are useful for designing active molecules in drug discovery. Methods of this invention can be implemented in a computer system and may be embodied as computer code in a computer readable medium.
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