Insights from coarse-grained Gō models for protein folding and dynamics.
Insights from coarse-grained Gō models for protein folding and dynamics.
复制标题
DOI：
10.3390/ijms10030889
复制
发表时间：
2009-03
影响因子：
5.6
通讯作者：
Brooks CL 3rd
中科院分区：
文献类型：
--
作者：
Hills RD Jr;Brooks CL 3rd
探索大规模构象变化的景观，如蛋白质折叠的原子细节，提出了相当大的计算挑战。粗粒度表示的肽链已因此发展，并在过去的十年中已被证明是非常有价值的。其中包括基于拓扑的gishi模型，它构成了折叠景观的光滑和漏斗状近似。我们回顾了许多变化的gishi模型，已被用来产生洞察折叠机制。他们的成功被解释为原生拓扑在折叠中的主导作用的结果。还讨论了局部接触密度在确定蛋白质动力学中的作用，并用于解释Gō-like模型捕获折叠序列效应和阐明构象转变的能力。
Exploring the landscape of large scale conformational changes such as protein folding at atomistic detail poses a considerable computational challenge. Coarse-grained representations of the peptide chain have therefore been developed and over the last decade have proved extremely valuable. These include topology-based Gō models, which constitute a smooth and funnel-like approximation to the folding landscape. We review the many variations of the Gō model that have been employed to yield insight into folding mechanisms. Their success has been interpreted as a consequence of the dominant role of the native topology in folding. The role of local contact density in determining protein dynamics is also discussed and is used to explain the ability of Gō-like models to capture sequence effects in folding and elucidate conformational transitions.
登录
查看更多内容
DOI：
10.1073/pnas.0510110103
发表时间：
2006-07-05
影响因子：
11.1
作者：
Chavez, Leslie L.;Gosavi, Shachi;Onuchic, Jose N.
通讯作者：
Onuchic, Jose N.
DOI：
10.1016/s1359-0278(98)00072-8
发表时间：
1998-01-01
期刊：
FOLDING & DESIGN
影响因子：
--
作者：
Dokholyan, NV;Buldyrev, SV;Shakhnovich, EI
通讯作者：
Shakhnovich, EI
影响因子：
3.4
作者：
Aftabuddin, Md.;Kundu, S.
通讯作者：
Kundu, S.
影响因子：
4.4
作者：
Bellesia, Giovanni;Shea, Joan-Emma
通讯作者：
Shea, Joan-Emma
影响因子：
4.4
作者：
Bagci, Z;Jernigan, RL;Bahar, I
通讯作者：
Bahar, I