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Solving the Protein Folding Problem with a Bicriterion Genetic Algorithm on the Grid

机译:网格上双标准遗传算法求解蛋白质折叠问题

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The exploration of potential multidimensional surfaces in protein folding is a non-trivial problem of extreme importance in computational biology. An evolutionary bicriterion grid-enabled protein folding approach is reported, classical molecular mechanics equations being employed for modeling inter-atomic interactions. Afferent computations were distributed on a nation-wide grid - GRID5000. A layered software design composed of dedicated frameworks is adopted due to the highly complex aspects inherent for the underlying volatile and dynamic execution environment. A brief insight on the existing approaches and the mathematical basis describing physical molecular interactions is offered, including derived semi-empirical and purely-empirical models. Introductory multicriterion formalisms enclosing the exposed approach are also presented
机译:在蛋白质折叠中潜在多维表面的探索是计算生物学中极为重要的非平凡问题。报道了一种进化的双标准网格使蛋白质折叠的方法,经典的分子力学方程被用来模拟原子间的相互作用。传入的计算分布在全国范围的网格GRID5000上。由于底层可变和动态执行环境固有的高度复杂方面,因此采用了由专用框架组成的分层软件设计。简要介绍了现有方法和描述物理分子相互作用的数学基础,包括派生的半经验模型和纯经验模型。还介绍了封闭方法的介绍性多准则形式主义

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