An investigation of crambin and BPTI based on ABEEM/MM model  

作　　者：Qing Mei Guan Dong Xia Zhao Zhong Zhi Yang 

机构地区：[1]Department of Chemistry, Liaoning Normal University, Dalian 116029, China

出　　处：《Chinese Chemical Letters》2007年第12期1554-1556,共3页中国化学快报（英文版）

摘　　要：Molecular dynamics simulation studies on crambin, BPTI （298 K, in vacuo） have been performed by ABEEM/MM method. Some structural properties were discussed. The results show fair consistency with those from X-ray experiment. Moreover, ABEEM/MM model can properly describe the interactions of hydrogen bond of protein systems.Molecular dynamics simulation studies on crambin, BPTI （298 K, in vacuo） have been performed by ABEEM/MM method. Some structural properties were discussed. The results show fair consistency with those from X-ray experiment. Moreover, ABEEM/MM model can properly describe the interactions of hydrogen bond of protein systems.

关 键 词：ABEEM/MM method CRAMBIN BPTI Molecular dynamics simulations 

分 类 号：O63[理学—高分子化学]