研究领域
含金属离子的无序蛋白质的动力学行为研究
蛋白质分子动力学模拟
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单升升, 闫超, 徐亮. 二面角动力学分析结合Zn2+的淀粉样蛋白Aβ40和Aβ42的多态性特征. 物理化学学报. 2013, 29, 2630-2638.
Liang Xu, Xiaojuan Wang, Xicheng Wang. Effects of Zn(II) binding on the structural and dynamic properties of amyloid β peptide associated with Alzheimer's disease: Asp1 or Glu11? ACS Chem. Neurosci. 2013, 4, 1458-1468.
Liang Xu, Xiaojuan Wang, Shengsheng Shan, Xicheng Wang. Characterization of the Polymorphic States of Copper(II)-Bound Aβ(1–16) Peptides by Computational Simulations. J. Comput. Chem. 2013, 34, 2524–2536 (front cover story).
Liang Xu, Shengsheng Shan, Xicheng Wang. Single point mutation alters the microstate dynamics of amyloid β-Protein Aβ42 as revealed by dihedral dynamics analyses. J. Phys. Chem. B. 2013, 117, 6206–6216.
Liang Xu, Xiaojuan, Wang, Xicheng Wang. Characterization of the internal dynamics and conformational spaces of zinc-bound amyloid β peptides by replica-exchange molecular dynamics simulations. Euro. Biophys. J., 2013, 42, 575–586.
Liang Xu, Ke Gao, Chunyu Bao, Xicheng Wang. Combining conformational sampling and selection to identify the binding mode of zinc-bound amyloid peptides with bifunctional molecules. J. Comput. Aided Mol. Des. 2012, 26, 963-976.
Olivia Wise-Scira, Liang Xu, George Perry, Orkid Coskuner. Structures and free energy landscapes of aqueous zinc(II)-bound amyloid-b(1–40) and zinc(II)-bound amyloid-b(1–42) with dynamics. J. Biol. Inorg. Chem. 2012, 17, 927–938.
Book Chapter: Olivia M. Wise, Liang Xu, Orkid Coskuner Structural and thermodynamic studies of α-Synuclein proteins related to Parkinson’s disease: Impact of aqueous solution and Fe3+ coordination. Metallic Systems: A Quantum Chemist’s Perspective (pp 29-81)，Thomas C. Allison (Eds.), Orkid Coskuner (Eds.), Carlos A. González (Eds.). CRC Press, 2011.
Olivia Wise-Scira, Liang Xu, Taizo Kitahara, George Perry, Orkid Coskuner. Amyloid-β peptide structure in aqueous solution varies with fragment size. J. Chem. Phys. 2011, 135, 205101-205113.
Liang Xu, Weijie Zhao, Xicheng Wang. Finding molecular dioxygen tunnels in homoprotocatechuate 2,3-dioxygenase: implications for different reactivity of identical subunits. Euro. Biophys. J., 2010, 39:327-336.
Liang Xu, Xin Liu, Weijie Zhao, Xicheng Wang. Locally Enhanced Sampling Study of Dioxygen Diffusion Pathways in Homoprotocatechuate 2, 3-dioxygenase. J. Phys. Chem. B，2009, 113 (41):13596–13603.
Liang Xu，Xicheng Wang, Weijie Zhao. Bridging the gap between molecular descriptors and mechanism: Cases studies by molecular dynamics simulations. J. Mol.Graph.Model，2009, 27(7):829-835.Joint Research:
Xin Du, Xuesong Liu, Liang Xu, Wenfeng Jiang, Ming Bao, Ren He. Chemoselective Suzuki–Miyaura Coupling of Bromophenyl-Substituted Bromoallenes with Arylboronic Acids. SYNLETT 2012, 23, 1505–1510.
Jun Ni, You-Gui Wang, Hui-Hui Wang, Liang Xu, Yan-Qiu Zhao, Yu-Zhen Pan, Jian-Jun Zhang. Thermo- and mechanical-grinding-triggered color and luminescence switches of the diimineplatinum(II) complex with 4-bromo-2,2’-bipyridine. Dalton Trans., 2014, 43, 352-360.Conference Paper:
Liang Xu, Xicheng Wang, Weijie Zhao. Electric and mechanical response of Uncouplers in model biomembrane. The 5th International Symposium on Biomechanics, Healthcare and Information Science (B-J-K Symposium on Biomechanics). 2009, 2, 20 - 2009, 2, 22, Kanazawa, Japan.
Liang Xu. The interplay of amyloid peptides and metal ions--polymorphic properties from the perspective of computational simulations. International Conference on Psychology, Autism and Alzheimer’s Disease (PsychoAAD-2013). 2013, 9, 30-10, 01, San Antonio, Texas, USA. (L.Xu. J. Alzheimers Dis. Parkinsonism, 2013, 3-4, 62)
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