| 查看: 406 | 回复: 2 | |||
[交流]
【求助】求一篇文献-有关HBV分子动力学模拟 已有1人参与
|
|
Article Computational model of hepatitis B virus DNA polymerase: Molecular dynamics and docking to understand resistant mutations Protein Science Volume 19 Issue 4, Pages 796 - 807 Published Online: 16 Feb 2010 http://www3.interscience.wiley.com/journal/123283439/abstract |
回复此楼» 猜你喜欢
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有7人回复
-
售SCI一区T0P文章，我:8O.55.1.O.54,科目全,可伽急
已经有7人回复
-
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有7人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.54,科目齐全,可+急
已经有6人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有8人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有10人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有7人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有8人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有11人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有8人回复
» 本主题相关商家推荐: (我也要在这里推广)
» 本主题相关价值贴推荐，对您同样有帮助:
- 求推荐接收分子动力学类文章的杂志
已经有11人回复
- 帮忙看看审稿意见：有关分子动力学模拟解释蛋白与底物相互作用
已经有3人回复
- 审稿意见不确定--求指点，分子动力学模拟方向
已经有3人回复
- 【求助】关于分子动力学模拟疑惑
已经有6人回复
- 【求助】分子动力学模拟尺度问题？
已经有11人回复
- 【求助】请教分子动力学模拟
已经有8人回复
ope123456789
铜虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 519
- 散金: 93
- 帖子: 232
- 在线: 31小时
- 虫号: 352130
- 注册: 2007-04-22
- 性别: GG
- 专业: 理论和计算化学
2楼2010-07-24 22:08:17
ope123456789
铜虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 519
- 散金: 93
- 帖子: 232
- 在线: 31小时
- 虫号: 352130
- 注册: 2007-04-22
- 性别: GG
- 专业: 理论和计算化学
★ ★ ★
雪狼乖乖(金币+3):谢谢 2010-07-24 23:47:33
雪狼乖乖(金币+3):谢谢 2010-07-24 23:47:33
|
Abstract Hepatitis B virus (HBV) DNA polymerase (HDP) is a pharmacological target of intense interest. Of the seven agents approved in USA for the treatment of HBV infections, five are HDP inhibitors. However, resistance development against HDP inhibitors, such as lamivudine and adefovir, has severely hurt their efficacy to treat HBV. As a step toward understanding the mechanism of resistance development and for gaining detailed insights about the active site of the enzyme, we have built a homology model of HDP which is an advance over previously reported ones. Validation using various techniques, including PROSTAT, PROCHECK, and Verify-3D profile, proved the model to be stereochemically significant. The stability of the model was studied using a 5 ns molecular dynamics simulation. The model was found to be sufficiently stable after the initial 2.5 ns with overall root mean squared deviation (RMSD) of 4.13 Å. The homology model matched the results of experimental mutation studies of HDP reported in the literature, including those of antiviral-resistant mutations. Our model suggests the significant role of conserved residues, such as rtLys32, in binding of the inhibitors, contrary to previous studies. The model provides an explanation for the inactivity of some anti-HIV molecules which are inactive against HDP. Conformational changes which occurred in certain binding pocket amino acids helped to explain the better binding of some of the inhibitors in comparison to the substrates. 不好意思只有摘要 |
3楼2010-07-24 22:09:51
10