| 释义 |
pbsaBNC²³⁶²¹³⁺¹
例句
The possible binding mode between EGFR and a4- anilinoqunazoline inhibitor was predicted by using molecular dynamics and MM/ PBSA.
采用分子动力学和 MM/ PBSA相结合的方法预测了表皮生长因子受体和4-苯胺喹啉类抑制剂的相互作用模式。 sioc-journal.cn
According the MM/ PBSA binding energy, the inclusion complexation of spironolactone-2- HPCD are most energy favored in water, that is in good agreement with the vacuum data.
根据计算得到的结合能表明，主体与螺内酯包合后的能量最稳定，这一结果与真空中半经验优化得到的结论一致。 fabiao
In this paper, the binding free energy between HIV protease and inhibitor is calculated by molecular dynamics simulation with MM- PBSA method.
采用分子动力学模拟和 MM- PBSA相结合方法计算了 HIV蛋白酶和抑制剂的结合自由能。 dictall
In MM/ PBSA calculations, the sum of non bonded energies between inhibitor and receptor were computed using molecular mechanics MM.
在 MM PBSA计算中，受体和抑制剂之间的非键相互作用能采用分子力学 MM的方法得到； cnki |