Dirkx J, Knappenberg M, Dufour P
Comput Programs Biomed. 1979 Jan;9(1):63-8. doi: 10.1016/0010-468x(79)90018-7.
An algorithm has been developped for the computer generation of the possible conformations of non-planar cyclic molecules. This algorithm has been used successfully to select the known conformations of the ribose ring, of substituted cyclohexane and of disulfide bridged peptides. Its use may be extended to open molecules when the end-to-end distance is known or imposed.
已经开发出一种算法,用于计算机生成非平面环状分子的可能构象。该算法已成功用于选择核糖环、取代环己烷和二硫键桥连肽的已知构象。当端到端距离已知或被设定时,其应用可扩展到开链分子。