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研究领域

发展更准确的方法来预测生物分子体系(肽,蛋白质,RNA,各种复合物)的三维结构。将结合不同领域的技术来达到此目标:(1)量子力学计算,(2)分子动力学模拟,(3)实验结构的数据挖掘,(4)序列的进化分析,(5)各种机器学习和最优化方法。

近期论文

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Xun, S.; Jiang, F.;* Wu, Y.-D.* Significant refinement of protein structure models using a residue-specific force field. J. Chem. Theory Comput. 2015, 11, 1949–1956 Jiang, F.;* Wu, Y.-D.* Folding of fourteen small proteins with a residue-specific force field and replica-exchange molecular dynamics. J. Am. Chem. Soc. 2014, 136, 9536–9539. Jiang, F.;* Zhou, C.-Y.; Wu, Y.-D.* Residue-specific force field based on the protein coil library. RSFF1: modification of OPLS-AA/L. J. Phys. Chem. B 2014, 118, 6983–6998. (封面文章) Jiang, F.; Han, W.; Wu, Y.-D. The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development. Phys. Chem. Chem. Phys. 2013, 15, 3413–3428. (特邀perspective文章) Wang, Y.; Jiang, F.; Zhuo, Z.; Wu, X.; Wu, Y.-D. A method for WD40 repeat detection and secondary structure prediction. Plos One 2013, 8, e65705. Jiang, F.; Han, W.; Wu, Y.-D. Influence of side chain conformations on local conformational features of amino acids and implication for force field development. J. Phys. Chem. B. 2010, 114, 5840–5850. Tang, Z.;? Jiang, F.;? Cui, X.; Gong, L. Z.; Mi, A. Q.; Jiang, Y. Z.; Wu, Y.-D. Enantioselective direct aldol reactions catalyzed by L-prolinamide derivatives. Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 5755–5760. (?共同第一作者)

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