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US07801685B2 System and method for improved computer drug design 有权
改进计算机药物设计的系统和方法

System and method for improved computer drug design
Abstract:
A system and method for computer-aided drug design employs adaptive sampling and iterative fitting of multi-atomic subunits. The iterative fitting is performed by successive perturbation of the location of the multi-atomic subunits in directions that reduces potential energy.
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