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探测金属蛋白核的配置空间:对双铁1双核Zn辅因子的初始分子动力学研究

Garegin A Papoian1, William F DeGrado, Michael L Klein

  • 1Department of Chemistry & Biochemistry, University of California at San Diego, 9500 Gilman Dr., La Jolla 92093-0371, USA. gap5@cornell.edu

Journal of the American Chemical Society
|January 9, 2003
PubMed
概括

理论模型探索金属蛋白辅因子的化学空间. 令人惊的是,更简单的模型准确地预测了晶体结构,通过模拟揭示了灵活的动态和新的低能异构体.

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