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The article examines two different methods for calculating binding energies for two kinase inhibitors bound to three different proteins. The methods are Density Functional Theory (DFT) and Free Energy Perturbation (FEP), which are then compared with experimental values.

本文针对两种结合于三种不同蛋白质的激酶抑制剂的结合能计算方法展开研究，所采用的两种方法分别为密度泛函理论（Density Functional Theory，DFT）与自由能微扰（Free Energy Perturbation，FEP），随后将两种方法的计算结果与实验值进行对比。