摘要
The geometric parameters for D-Ala-D-Ala are optimized by MM, the most and next two stable conformations are obtained. According to the interaction model with target emzyme suggested by us, the traingle-relationship of it is obtained. This triangle-relationship could be found in the pharmaceuticals belong to different classes of β-actams also.
The geometric parameters for D-Ala-D-Ala are optimized by MM, the most and next two stable conformations are obtained. According to the interaction model with target emzyme suggested by us, the traingle-relationship of it is obtained. This triangle-relationship could be found in the pharmaceuticals belong to different classes of β-actams also.
基金
Project supported by National Scientific Foundation of China