Binding affinities of a series of benzamide inhibitors for trypsin were evaluated by molecular dynamics (MD) simulations using a linearresponse approach.
用基于线性响应近似的自由能预测方法计算胰蛋白酶和苯酰氨类抑制剂的结合自由能。
2
The linearresponse and the frequency characteristic of the spring system are studied theoretically and experimentally.
对弹性系统的线性响应、频率特性进行了理论和实验研究。
3
The binding affinities of a series of benzamide inhibitors with trypsin were evaluated by molecular dynamics (MD) simulations with a linearresponse approach.