Application of Cluster Analysis in Search of Low-energy Conformations by the Overlapping Spheres Method

Croatica Chemica Acta

Žuža-Mak, Lora¹  Raos, Nenad¹ 

[1] Institute for Medical Research and Occupational Health, Ksaverska c. 2, P.O.B. 291, 10001 Zagreb, Croatia

关键词: cluster analysis;    Ward’s method;    conformational analysis;    global optimization;    amino acids;    copper(II) complexes;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

In order to achieve a general procedure for molecular fragmentation in the overlapping spheres (OS) method, aimed to search for low-energy conformations, cluster analysis (Ward’s method) was applied. The center of the central sphere...

【 授权许可】

Unknown