Personal Information
Liang Xu

Department of Physics, Bernal Institute, University of Limerick, Limerick, Munster, Ireland

Liang Xu
From 09/2015 to 12/2019, Docorate , China
Work Experiences
From 07/2016 to present, Research Scientist , University of Limerick
From 08/2010 to 08/2011, Special Volunteer , National Cancer Institute at Frederick, National Health Institutes, US
From 12//2007 to 11//2017, Lecturer , Dalian University of Technology, China
From 08/2016 to 12/2019, Protein aggregation related neurodegeneration , To develop new structural models to understand the molecular mechanism of protein aggregation
Computational Biophysics
Chemical Neuroscience
Molecular Biology
Journal Articles
Re-designing the α-synuclein tetramer, Chem. Commun..2018, 54, 8080-8083. Liang Xu, Shayon Bhattacharya and Damien Thompson.
Revisiting the earliest signatures of amyloidogenesis: Roadmaps emerging from computational modeling and experiment. WIREs Comput. Mol. Sci. 2018; 8, e1359. Shayon Bhattacharya, Liang Xu, Damien Thompson.
The fold preference and thermodynamic stability of a-synuclein fibrils is encoded in the non-amyloid-β component region. Phys.Chem.Chem.Phys.,2018, 20, 4502-4512. Liang Xu, Shayon Bhattacharya and Damien Thompson.
Familial Mutations May Switch Conformational Preferences in α-Synuclein Fibrils. ACS Chem. Neurosci., 2017, 8, 837-849. Liang Xu, Buyong Ma, Ruth Nussinov, Damien Thompson.
Hyperphopsphorylation Promotes Tau Aggregation by Modulating Filament Structure and Stability. ACS Chem. Neurosci., 2016, 7, 565-575. Liang Xu, Jie Zheng, Martin Margittai, Ruth Nussinov, Buyong Ma.
Coupling of the Non-Amyloid-Component (NAC) Domain and the KTK(E/Q)GV Repeats Stabilizes the α-Synuclein Fibrils. Eur. J. Med. Chem. 2016, 121, 841-850. Liang Xu, Ruth Nussinov, Buyong Ma.
Allosteric stabilization of amyloid-β peptide β- hairpin by the fluctuating N-terminal. Chem. Comm. 2016, 52, 1733-1736. Liang Xu, Ruth Nussinov, Buyong Ma.
Coupling of Zinc-Binding and Secondary Structure in Nonfibrillar Aβ 40 Peptide Oligomerization. J. Chem. Inf. Model. 2015, 55, 1218-1230. Liang Xu, Shengsheng Shan, Yonggang Chen, Xiaojuang Wang, Ruth Nussinov, Buyong Ma.
Assembly of Amyloid β Peptides in the Presence of Fibril Seeds: One-Pot Coarse-Grained Molecular Dynamics Simulations. J. Phys. Chem. B. 2014, 118, 9238-9246. Liang Xu, Yonggang Chen, Xiaojuan Wang.
Dual effects of familial Alzheimer's disease mutations (D7H, D7N, and H6R) on amyloid β peptide: Correlation dynamics and zinc binding. Proteins 2014, 82, 3286-3297. Liang Xu, Yonggang Chen, Xiaojuan 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, Shengsheng Shan, Xicheng Wang.
Characterization of the internal dynamics and conformational space of zinc-bound amyloid β peptides by replica-exchange molecular dynamics simulations. Eur. Biophys. J. 2013, 42, 575-586. Liang Xu, Xiaojuan Wang, Xicheng Wang.
Effects of Zn 2+ binding on the structural and dynamic properties of amyloid β peptide associated with Alzheimer's disease: Asp 1 or Glu 11 ? ACS Chem. Neurosci. 2013, 4, 1458-1468. Liang Xu, Xiaojuan Wang, 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. Liang Xu, Xiaojuan Wang, 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. Liang Xu, Ke Gao, Chunyu Bao, Xicheng Wang.
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. Olivia Wise-Scira, Liang Xu, George Perry, Orkid Coskuner.
Amyloid- β peptide structure in aqueous solution varies with fragment size. J. Chem. Phys. 2011, 135, 205101-205113. Olivia Wise-Scira, Liang Xu, Taizo Kitahara, George Perry, Orkid Coskuner.
Finding molecular dioxygen tunnels in homoprotocatechuate 2,3-dioxygenase: implications for different reactivity of identical subunits. Eur. Biophys. J., 2010, 39:327-336. Liang Xu, 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, Xin Liu, Weijie Zhao, Xicheng Wang.
Bridging the gap between molecular 3descriptors and mechanism: Cases studies by molecular dynamics simulations. J. Mol.Graph.Model,2009, 27(7):829-835. Liang Xu , Xicheng Wang, Weijie Zhao.
Bodipy-C60 Triple Hydrogen Bonding Assembly as Heavy Atom-Free Triplet Photosensitizers: Preparation and Study of the Singlet/Triplet Energy Transfer. Chem. Sci. 2015, 6, 3724–3737. Song Guo, Liang Xu, Kejing Xu, Jianzhang Zhao, Betül Kü?ük?z, Ahmet Karatay, Gul Yaglioglu, Mustafa Hayvali, Ayhan Elmali.
Radical Enhanced Intersystem Crossing (EISC) in New Bodipy Derivatives and Application for Efficient Triplet-Triplet Annihilation Upconversion. J. Am. Chem. Soc., 2017, 139, 7831– 7842. Zhijia Wang, Jianzhang Zhao, Antonio Barbon, Antonio Toffoletti, Yan Liu, Yonglin An, Liang Xu, Ahmet Karatay, Halime Gul Yaglioglu, Elif Akhuseyin Yildiz, and Mustafa Hayvali.
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