| An investigation of crambin and BPTI based on ABEEM/MM model |
| |
| 作者姓名： | Qing Mei Guan Dong Xia Zhao Zhong Zhi Yang |
| |
| 作者单位： | Qing Mei Guan Dong Xia Zhao Zhong Zhi Yang Department of Chemistry，Liaoning Normal University，Dalian 116029，China |
| |
| 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.
|
| 关 键 词： | BPTI 分子动力学 化学反应 化学模型 |
| 收稿时间： | 23 April 2007. |
An investigation of crambin and BPTI based on ABEEM/MM model |
| |
| Qing Mei Guan Dong Xia Zhao Zhong Zhi Yang.An investigation of crambin and BPTI based on ABEEM/MM model[J].Chinese Chemical Letters,2007,18(12):1554-1556. |
| |
| Authors: | Qing Mei Guan Dong Xia Zhao Zhong Zhi Yang |
| |
| Institution: | aDepartment of Chemistry, Liaoning Normal University, Dalian 116029, China |
| |
| Abstract: | 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. |
| |
| Keywords: | ABEEM/MM method Crambin BPTI Molecular dynamics simulations |
| 本文献已被 CNKI 维普 万方数据 ScienceDirect 等数据库收录！ |
