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马剑鹏 院长


研究方向

复杂体系多尺度研究

结构生物学

简要介绍:马剑鹏教授,曾在哈佛大学师从2013年诺贝尔化学奖获得者Martin Karplus 教授及 1976年诺贝尔化学奖获得者William Lipscomb 教授进行博士后研究。2000年起加入世界著名的美国贝勒(Baylor)医学院和莱斯(Rice)大学任职,为终身教授,贝勒医学院冠顶教授。在科研上整合实验测量及理论计算,屡屡有创新突破,获得多项国际学术大奖,是2004年Norman Hackermann 化学研究奖获得者。马剑鹏教授任美国医学生物工程学会会士,美国科学促进会会士,及美国物理学会会士。从2018年起,马剑鹏教授加盟复旦大学,作为上海市高峰人才引进团队的核心成员,和诺贝尔化学奖得主Michael Levitt 教授一起建设新葡萄娱乐场网站,担任院长。

代表成果

1. Gang Xu, Qinghua Wang, Jianpeng Ma*. OPUS-Refine: A Fast Sampling-Based Framework for Refining Protein Backbone Torsion Angles and Global Conformation, Journal of Chemical Theory and Computation, 2020, 16 (2), 1359-1366. https://doi.org/10.1021/acs.jctc.9b010542.

2.Gang Xu, Qinghua Wang, Jianpeng Ma*. OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling,Journal of Chemical Theory and Computation, 2020, 16 (6), 3970-3976. https://doi.org/10.1021/acs.jctc.0c00186

3. Gang Xu, Qinghua Wang, Jianpeng Ma*, OPUS-TASS: A Protein Backbone Torsion Angles and Secondary Structure Predictor Based on Ensemble Neural Networks,Bioinformatics, https://doi.org/10.1093/bioinformatics/btaa629

4. Gang Xu, Tianqi Ma, Tianwu Zang, Weitao Sun, Qinghua Wang and Jianpeng Ma*, OPUS-DOSP: A distance- and orientation-dependent all-atom potential derived from side-chain packing.J. Mol. Biol.,2017429:3113-20.

5. Gang Xu, Tianqi Ma, Junqing Du, Qinghua Wang, and Jianpeng Ma,OPUS-Rota2: An Improved Fast and Accurate Side-Chain Modeling Method.Journal of Chemical Theory and Computation, 2019 15:5154-5160,DOI: 10.1021/acs.jctc.9b00309.

6. Cheng Zhang, Justin A. Drake, Jianpeng Ma* and B. Montgomery Pettitt*, Optimal updating magnitude in adaptive flat-distribution sampling.J. Chem. Phys., 2017 147: 174105.

7. Gang Xu, Tianqi Ma, Tianwu Zang, Weitao Sun, Qinghua Wang* and Jianpeng Ma*, OPUS-CSF: A C-atom-based scoring function for ranking protein structural models.Protein Sci.2018 27:286-292.

8. Xingcheng Lin, Jeffrey K. Noel, Qinghua Wang, Jianpeng Ma* and José N. Onuchic*. Atomistic simulations indicate the functional loop-to-coiled-coil transition in Influenza Hemagglutinin is not downhill.Proc Natl Acad Sci U S A.2018 115: E7905-7913.

9. Junqing Du, Brian Kirk, Jia Zeng, Jianpeng Ma* and Qinghua Wang*. Three classes of response elements for human PRC2 and MLL1/2-Trithorax complexes.Nucleic Acids Res.2018 46: 8848-8864.

10. Tianwu Zang, Tianqi Ma, Qinghua Wang* and Jianpeng Ma*. Improving low-accuracy protein structures using enhanced sampling techniques.J. Chem. Phys.2018 149: 072319.

11. Tianqi Ma, Tianwu Zang, Qinghua Wang* and Jianpeng Ma*. Refining protein structures using enhanced sampling techniques with restraints derived from an ensemble-based model.Protein Sci. 2018 27: 1842-1849.