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大家好,我用李老师的gmx_mmpbsa脚本计算了结合自由能,根据输出的内容判断是强的结合力,投稿时审稿人问我有没有文献依据,请问这方面大家有相关的参考文献吗?
下面就是参考的亲和度表格
+==============================================================+
| M(mol/L) | m/u/pM | dG(kcal/mol) | dG(kJ/mol) | Affinity |
|==============================================================|
| 0.1 | 100 mM | -1.364 | -5.708 | |
| 0.01 | 10 mM | -2.728 | -11.416 | |
| 0.001 | 1 mM | -4.093 | -17.124 | |
| 0.0001 | 100 uM | -5.457 | -22.832 | Weak |
|--------------------------------------------------------------|
| 0.00001 | 10 uM | -6.821 | -28.540 | |
| 1.0E-06 | 1 uM | -8.185 | -34.248 | Medium |
|--------------------------------------------------------------|
| 1.0E-07 | 100 nM | -9.550 | -39.956 | |
| 1.0E-08 | 10 nM | -10.914 | -45.664 | |
| 1.0E-09 | 1 nM | -12.278 | -51.372 | Strong |
|--------------------------------------------------------------|
| 1.0E-10 | 100 pM | -13.642 | -57.080 | |
| 1.0E-11 | 10 pM | -15.007 | -62.788 | |
| 1.0E-12 | 1 pM | -16.371 | -68.496 | Very strong |
+==============================================================+
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