The binding affinities of a series of benzamide inhibitors with trypsin were evaluated by molecular dynamics (MD) simulations with a linear response approach.

 
  • 本文采用基于線(xiàn)性響應近似的自由能預測方法計算了胰蛋白酶和苯酰氨類(lèi)抑制劑的結合自由能。
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