• 主题
高级搜索  >
历史搜索 清空历史
首页> 美国卫生研究院文献>Protein Science : A Publication of the Protein Society >Protein folding pathways and state transitions described by classical equations of motion of an elastic network model
【2h】

Protein folding pathways and state transitions described by classical equations of motion of an elastic network model

机译：弹性网络模型的经典运动方程式描述的蛋白质折叠途径和状态转变

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务，本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文，但由于OA文献来源多样且变更频繁，仍可能出现获取不到、文献不完整或与标题不符等情况，如果获取不到我们将提供退款服务。请知悉。
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Protein topology defined by the matrix of residue contacts has proved to be a fruitful basis for the study of protein dynamics. The widely implemented coarse-grained elastic network model of backbone fluctuations has been used to describe crystallographic temperature factors, allosteric couplings, and some aspects of the folding pathway. In the present study, we develop a model of protein dynamics based on the classical equations of motion of a damped network model (DNM) that describes the folding path from a completely unfolded state to the native conformation through a single-well potential derived purely from the native conformation. The kinetic energy gained through the collapse of the protein chain is dissipated through a friction term in the equations of motion that models the water bath. This approach is completely general and sufficiently fast that it can be applied to large proteins. Folding pathways for various proteins of different classes are described and shown to correlate with experimental observations and molecular dynamics and Monte Carlo simulations. Allosteric transitions between alternative protein structures are also modeled within the DNM through an asymmetric double-well potential.
机译：由残基接触矩阵定义的蛋白质拓扑已被证明是蛋白质动力学研究的丰硕基础。广泛使用的骨架波动的粗粒度弹性网络模型已用于描述晶体学温度因子，变构偶联和折叠途径的某些方面。在本研究中，我们基于阻尼网络模型（DNM）的经典运动方程式开发了蛋白质动力学模型，该模型描述了从完全展开状态到纯构象的折叠路径，该折叠路径是通过纯粹从本地构象。通过蛋白质链断裂获得的动能通过模拟水浴的运动方程式中的摩擦项来耗散。这种方法是完全通用的并且足够快，可以应用于大型蛋白质。描述了不同类别的各种蛋白质的折叠途径，并显示了与实验观察和分子动力学以及蒙特卡洛模拟相关的途径。通过不对称的双阱电势，也可以在DNM内模拟其他蛋白质结构之间的变构过渡。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号