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发表于 2006-3-11 12:05:14
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一点一点来吧
真的很难,我正在努力。有些地方自己都觉得惨不忍睹,对生物学的了解还是太少。哎。。。
希望下星期能结束这个页面。
大家一起努力吧。
Predicton and Design of Macromolecular Structures and Interactions大分子结构及交互作用的预测与设计
* Introduction介绍
* Design of Protein Structure蛋白质结构设计
* Design of Protein-Protein Interactions蛋白质交互作用设计
* Prediction of Protein Structure蛋白质结构预测
* Prediction of Protein-Protein Interactions蛋白质交互作用预测
* Improvement of Physical Model物理模型的改进
* Plans for the Future未来计划
For information about Rosetta@home, click here. 要了解Rosetta@home,请点击这里。
Introduction介绍
The goal of our current research is to develop an improved model of intra- and intermolecular interactions and to use this model to predict and design macromolecular structures and interactions. Prediction and design applications, which can be of great biological interest in their own right, also provide stringent and objective tests that improve the model and increase fundamental understanding.我们现在研究工作的目标是开发一种分子内和分子间交互作用的改良模型,并用这个模型来预测和设计大分子结构及其交互作用。这种预测和设计的应用,不仅自身就具有相当重要的生物学意义,而且为改进模型加深基础性理解提供了严格且客观的测试。
We use a computer program called Rosetta to carry out protein and design calculations. At the core of Rosetta are potential functions for computing the energies of interactions within and between macromolecules, and methods for finding the lowest energy structure for an amino acid sequence (protein-structure prediction) or a protein-protein complex and for finding the lowest energy amino acid sequence for a protein or protein-protein complex (protein design). Feedback from the prediction and design tests is used continually to improve the potential functions and the search algorithms. Development of one computer program to treat these diverse problems has considerable advantages: first, the different applications provide complementary tests of the underlying physical model (the fundamental physics/physical chemistry is, of course, the same in all cases); second, many problems of current interest, such as flexible backbone protein design and protein-protein docking with backbone flexibility, involve a combination of the different optimization methods.我们使用名为Rosetta的计算机程序来给出蛋白质及其设计的计算。在Rosetta的核心内,有若干功能和方法。它们包括:计算大分子内或大分子间交互作用所产生能量的势函数,发现氨基酸序列或蛋白质复合体最弱级能量结构的方法(即蛋白质结构预测),及发现蛋白质或蛋白质复合体所需最弱能量氨基酸排序的方法(即蛋白质设计)。预测和设计测试的反馈被不断用于改进势函数和查找算法。开发一种能处理这些不同问题的计算机程序具有相当大的好处。首先,这些不同的应用提供了基础物理模型的补充性测试(当然,基础物理/物理化学也是一样的)。其次,许多热门问题,如弹性骨架蛋白质设计和具有骨架弹性的蛋白质嵌合,都涉及了对不同最优化方法的结合。
[ Last edited by Nye on 2006-3-16 at 22:07 ] |
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