Configuration-dependent diffusion can shift the kinetic transition state and barrier height of protein folding
文献类型：期刊论文
| 作者 | Chahine J ; Oliveira RJ ; Leite VBP ; Wang J |
| 刊名 | proceedings of the national academy of sciences of the united states of america
 |
| 出版日期 | 2007 |
| 卷号 | 104期号:37页码:14646-14651 |
| 关键词 | MOLECULAR-DYNAMICS SIMULATIONS MONOMERIC LAMBDA-REPRESSOR FREE-ENERGY LANDSCAPE CHEMICAL-REACTIONS REACTION-COORDINATE SPEED LIMIT MODEL TEMPERATURE PATHWAYS PHOTON |
| ISSN号 | 0027-8424 |
| 通讯作者 | chahine j |
| 中文摘要 | we show that diffusion can play an important role in protein-folding kinetics. we explicitly calculate the diffusion coefficient of protein folding in a lattice model. we found that diffusion typically is configuration- or reaction coordinate-dependent. the diffusion coefficient is found to be decreasing with respect to the progression of folding toward the native state, which is caused by the collapse to a compact state constraining the configurational space for exploration. the configuration- or position-dependent diffusion coefficient has a significant contribution to the kinetics in addition to the thermodynamic free-energy barrier. it effectively changes (increases in this case) the kinetic barrier height as well as the position of the corresponding transition state and therefore modifies the folding kinetic rates as well as the kinetic routes. the resulting folding time, by considering both kinetic diffusion and the thermodynamic folding free-energy profile, thus is slower than the estimation from the thermodynamic free-energy barrier with constant diffusion but is consistent with the results from kinetic simulations. the configuration- or coordinate-dependent diffusion is especially important with respect to fast folding, when there is a small or no free-energy barrier and kinetics is controlled by diffusion.including the configurational dependence will challenge the transition state theory of protein folding. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000249513000020 |
| 公开日期 | 2010-07-13 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/14031]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Chahine J,Oliveira RJ,Leite VBP,et al. Configuration-dependent diffusion can shift the kinetic transition state and barrier height of protein folding[J]. proceedings of the national academy of sciences of the united states of america,2007,104(37):14646-14651. |
| APA | Chahine J,Oliveira RJ,Leite VBP,&Wang J.(2007).Configuration-dependent diffusion can shift the kinetic transition state and barrier height of protein folding.proceedings of the national academy of sciences of the united states of america,104(37),14646-14651. |
| MLA | Chahine J,et al."Configuration-dependent diffusion can shift the kinetic transition state and barrier height of protein folding".proceedings of the national academy of sciences of the united states of america 104.37(2007):14646-14651. |
入库方式： OAI收割
来源：长春应用化学研究所
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