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摘要翻译：
元模型是获取复杂系统自由能景观的有力计算工具。Monte Carlo算法已被证明对计算蛋白质简化模型相关的热力学量是有用的，从而获得对蛋白质折叠机制的一般原理的不断增加的理解。我们证明了将元模型学和蒙特卡罗算法结合起来以一种计算上非常经济的方式获得模型蛋白质的自由能是可能的。
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英文标题：
《Metadynamic sampling of the free energy landscapes of proteins coupled
with a Monte Carlo algorithm》
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作者：
F. Marini, C. Camilloni, D. Provasi, R. A. Broglia, G. Tiana
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最新提交年份：
2007
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分类信息：
一级分类：Physics 物理学
二级分类：Statistical Mechanics 统计力学
分类描述：Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变，热力学，场论，非平衡现象，重整化群和标度，可积模型，湍流
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一级分类：Quantitative Biology 数量生物学
二级分类：Biomolecules 生物分子
分类描述：DNA, RNA, proteins, lipids, etc.; molecular structures and folding kinetics; molecular interactions; single-molecule manipulation.
DNA、RNA、蛋白质、脂类等；分子结构与折叠动力学；分子相互作用；单分子操作。
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英文摘要：
Metadynamics is a powerful computational tool to obtain the free energy landscape of complex systems. The Monte Carlo algorithm has proven useful to calculate thermodynamic quantities associated with simplified models of proteins, and thus to gain an ever-increasing understanding on the general principles underlying the mechanism of protein folding. We show that it is possible to couple metadynamics and Monte Carlo algorithms to obtain the free energy of model proteins in a way which is computationally very economical.
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PDF链接：
https://arxiv.org/pdf/710.0782
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