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arXiv 0710.4353cond-mat.softphysics.bio-ph
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简化为最简单的-最小化杂聚物模型的复杂性

Reduction to the Simplest - The Complexity of Minimalistic Heteropolymer Models

Michael Bachmann, Wolfhard Janke

摘要:

简单的粗粒度的疏水极性模型的杂聚物的晶格HP和非晶格AB模型允许一个一般的分类的特征行为的疏水核心为基础的三级折叠。强烈减少的计算工作,使之能够系统地揭示在较宽的温度范围内的构象活动的相对较长的序列的热力学性质。基于一个合适的协同性参数,特征折叠通道和自由能景观,具有很强的相似性,与现实的折叠路径,可以分析。

英文摘要:

Simple coarse-grained hydrophobic-polar models for heteropolymers as the lattice HP and the off-lattice AB model allow a general classification of characteristic behaviors for hydrophobic-core based tertiary folding. The strongly reduced computational efforts enable one to reveal systematically the thermodynamic properties of comparatively long sequences in a wide temperature range of conformational activity. Based on a suitable cooperativity parameter, characteristic folding channels and free-energy landscapes, which have strong similarities with realistic folding paths, can be analysed.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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