引用本文:
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.
doi:
10.1016/j.cclet.2007.07.029
Citation: 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. doi: 10.1016/j.cclet.2007.07.029
Citation: 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. doi: 10.1016/j.cclet.2007.07.029
An investigation of crambin and BPTI based on ABEEM/MM model
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.
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关键词:
- ABEEM/MM method
- / Crambin
- / BPTI
- / Molecular dynamics simulations
English
An investigation of crambin and BPTI based on ABEEM/MM model
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.
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Key words:
- ABEEM/MM method
- / Crambin
- / BPTI
- / Molecular dynamics simulations
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