Molecular dynamics simulation and thermodynamic integration method were used to calculate the absolute binding free energy of the protein- ligand complex.
介绍了用分子动力学模拟与热力学积分法相结合 ，模拟蛋白质与配体的绝对结合自由能的方法 。
In which the patent system, as a product of integration of legal and technical, which belongs to proprietary, is an absolute right, also, it refers to public interest.
专利权是一种绝对权，属于私权的范畴，但它同时也涉及到社会公众的利益。
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