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What thermodynamic features characterize good and bad folders? Results from a simplified off-lattice protein model

机译：什么热力学特征表征好的和坏的文件夹？结果来自简化的非晶格蛋白质模型

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The thermodynamics of the small SH3 protein domain is studied by means of asimplified model where each bead-like amino acid interacts with the othersthrough a contact potential controlled by a 20x20 random matrix. Good foldingsequences, characterized by a low native energy, display three mainthermodynamical phases, namely a coil-like phase, an unfolded globule and afolded phase (plus other two phases, namely frozen and random coil, populatedonly at extremes temperatures). Interestingly, the unfolded globule has someregions already structured. Poorly designed sequences, on the other hand,display a wide transition from the random coil to a frozen state. Thecomparison with the analytic theory of heteropolymers is discussed.

机译：通过简化模型研究小SH3蛋白域的热力学，其中每个珠样氨基酸通过20x20随机矩阵控制的接触电势与其他氨基酸相互作用。具有低固有能量的良好的折叠序列显示出三个主要的热力学相，即线圈状相，未折叠的球状体和折叠相（加上其他两个相，即冷冻和无规卷曲，仅在极端温度下填充）。有趣的是，展开的小球已经构成了一些区域。另一方面，设计不良的序列会显示从随机线圈到冻结状态的宽泛过渡。讨论了与杂聚物分析理论的比较。

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Amatori, A.; Ferkinghoff-Borg, J.; Tiana, G.; Broglia, R. A.;
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年度 2005
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正文语种 {"code":"en","name":"English","id":9}
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1. Thermodynamics and stability of a beta-sheet complex: molecular dynamics simulations on simplified off-lattice protein models. [J] . Jang H, Hall CK, Zhou Y Protein Science: A Publication of the Protein Society . 2004,第1期

机译：β-sheet复合物的热力学和稳定性：简化的非晶格蛋白质模型的分子动力学模拟。
2. Thermodynamics of an All-Atom Off-Lattice Model of the Fragment B of Staphylococcal Protein A: Implication for the Origin of the Cooperativity of Protein Folding [J] . Yaoqi Zhou, Apichart Linhananta The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2002,第6期

机译：葡萄球菌蛋白A片段B的全原子离格模型的热力学：蛋白质折叠的协同作用的起源的含义。
3. Ab-Initio Protein Folding Using Molecular Dynamics and a Simplified Off-Lattice Model [J] . César M. V. Benitez, Heitor Silvério Lopes Journal of Bionanoscience . 2013,第4期

机译：从头开始蛋白质折叠使用分子动力学和简化的晶格模型
4. An improved parallel differential evolution approach for protein structure prediction using both 2D and 3D off-lattice models [C] . Kalegari Diego H., Lopes Heitor S. IEEE Symposium on Differential Evolution . 2013

机译：使用2D和3D非晶格模型的蛋白质结构预测的改进的并行差分进化方法
5. Protein folding with coarse-grained off-lattice models of the polypeptide chain. [D] . Nanias, Marian. 2006

机译：使用多肽链的粗粒非晶格模型进行蛋白质折叠。
6. Thermodynamics and stability of a β-sheet complex: Molecular dynamics simulations on simplified off-lattice protein models [O] . Hyunbum Jang, Carol K. Hall, Yaoqi Zhou 2004

机译：β-sheet复合物的热力学和稳定性：简化的非晶格蛋白质模型的分子动力学模拟
7. Thermodynamics and stability of a β-sheet complex: Molecular dynamics simulations on simplified off-lattice protein models [O] . Jang, Hyunbum, Hall, Carol K., Zhou, Yaoqi 2004

机译：β-sheet复合物的热力学和稳定性：简化的非晶格蛋白质模型的分子动力学模拟
8. Lattice and off-lattice side chain models of protein folding: Linear time structure prediction better than 86% of optimal [R] . Hart, W. E. , Istrail, S. 1996

机译：蛋白质折叠的格子和非格子侧链模型：线性时间结构预测优于最佳的86％

What thermodynamic features characterize good and bad folders? Results from a simplified off-lattice protein model

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