Reduced protein models and their application to the protein folding problem.
Reduced protein models and their application to the protein folding problem.
复制标题
简化蛋白质模型及其在蛋白质折叠问题中的应用。
DOI：
10.1080/07391102.1998.10508255
复制
发表时间：
1998
期刊：
影响因子：
--
通讯作者：
Ortiz,AR
中科院分区：
文献类型：
--
作者：
Skolnick,J;Kolinski,A;Ortiz,AR
计算生物学中最重要的未解决的问题之一是从氨基酸序列预测蛋白质的三维结构。在实践中，蛋白质折叠问题的解决方案需要同时解决两个相互关联的问题。需要从无数错误折叠的构象中识别出天然状态的电位，并且必须解决多个最小构象搜索问题。部分克服这两个问题的一种方法是使用简化的蛋白质模型和基于知识的潜力。这些模型已被用来阐明蛋白质折叠的一些一般特征，包括能量景观的性质，负责天然状态的独特性和球状蛋白质的两态热力学行为的起源的因素。简化模型也被用来预测蛋白质的三级和四级结构。当结合有限数量的二级和三级结构的实验信息时，可以组装相当复杂的分子。如果采用预测的二级结构和三级结构的限制，低分辨率的单结构域蛋白质模型可以成功地预测。因此，简化的蛋白质模型在进一步了解蛋白质的物理性质方面发挥了重要作用。
One of the most important unsolved problems of computational biology is prediction of the three-dimensional structure of a protein from its amino acid sequence. In practice, the solution to the protein folding problem demands that two interrelated problems be simultaneously addressed. Potentials that recognize the native state from the myriad of misfolded conformations are required, and the multiple minima conformational search problem must be solved. A means of partly surmounting both problems is to use reduced protein models and knowledge-based potentials. Such models have been employed to elucidate a number of general features of protein folding, including the nature of the energy landscape, the factors responsible for the uniqueness of the native state and the origin of the two-state thermodynamic behavior of globular proteins. Reduced models have also been used to predict protein tertiary and quaternary structure. When combined with a limited amount of experimental information about secondary and tertiary structure, molecules of substantial complexity can be assembled. If predicted secondary structure and tertiary restraints are employed, low resolution models of single domain proteins can be successfully predicted. Thus, simplified protein models have played an important role in furthering the understanding of the physical properties of proteins.
登录
查看更多内容
影响因子：
8
作者：
J. Skolnick;A. Godzik;L. Jaroszewski;12Andrzej Kolinski
通讯作者：
J. Skolnick;A. Godzik;L. Jaroszewski;12Andrzej Kolinski
球状蛋白质折叠/展开途径的动态蒙特卡罗模拟。
影响因子：
5.6
作者：
Skolnick,J;Kolinski,A
通讯作者：
Kolinski,A
球状蛋白质折叠、结构和动力学的新晶格模型的动态蒙特卡罗模拟。
影响因子：
5.6
作者：
Skolnick,J;Kolinski,A
通讯作者：
Kolinski,A
蛋白质折叠的统计热力学：平均场理论与蒙特卡罗模拟的比较
影响因子：
4.4
作者：
M. Hao;H. Scheraga
通讯作者：
H. Scheraga
具有晶格外蒙特卡罗运动的蛋白质动力学。
DOI：
10.1103/physreve.53.4221
发表时间：
1996
期刊：
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
影响因子：
--
作者：
Daniel Hoffmann;Ernst
通讯作者：
Ernst