Beckman Institute, University of Illinois at Urbana-Champaign
405 N. Mathews Ave, Urbana, IL 61801
Home Department: Department of Biochemistry, Center for Biophysics and Computational Biology
Office Address: Room 3017, Beckman Institute
Email Address: firstname.lastname@example.org
Ph.D., Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, 2014
M.S., Biochemistry and Molecular Biology, 2008. Beijing Normal University, China.
B.S., Chemistry, 2004. Beijing Normal University, China.
- My major research interests are in the application of molecular dynamics simulation to study the molecular mechanism of biological systems.
- Molecular mechanism of membrane transporters Living cells rely on the continuous exchange of diverse molecular species, e.g., nutrients, precursors, and reaction products, across the cellular membrane for their proper function. Membrane transporters are proteins that serve as active gatekeepers closely regulating the traffic of these species across the membrane. Structurally, the traverse between main functional states of transporters rely on a complex set of rearrangements between their structural elements, in conjunction with the coordinated movements of the transported species, rendering the dynamics of the transporters highly functional relevant. Due to the dynamic nature of membrane transporters, I employ all-atom molecular dynamics (MD) simulations to study many critical aspects of the transport mechanism. Currently we are developing and employing new enhanced sampling approaches to study the large scale conformational change during the state transitions in transporters, and to quantitatively characterize the thermodynamical properties of membrane transport.
- Cell adhesion mechanics Adherens junctions contribute significantly to animal development and tissue homeostasis, and its defects leads to various human pathologies, including cancers. Adherens junction relies on the coupling between cell adhesion and actin cytoskeleton, which is mediated by the cadherin-catenin-F-actin complex. However, many critical aspects of adherens junctions and their core constituents are not understood yet. I am now employing all-atom MD simulations, especially steered MD simulations, to study the molecular mechanism of two essential components, alpha-catenin and cadherin, to elucidate the activation mechanism of alpha-catenin, and dimerization process of cadherins.
- A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane.
- Transient Formation of Water-Conducting States in Membrane Transporters.
- Visualizing Functional Motions of Membrane Transporters with Molecular Dynamics Simulations.
- Simulation Studies of the Mechanism of Membrane Transporters.
- A Gate-Free Pathway for Substrate Release from the Inward-facing State of the Na+-Galactose Transporter.
- Indentification of the Critical Structural Determinants of the EF-hand Domain Arrangements in Calcium Binding Proteins.
- Membrane Transporters - Molecular Machines Coupling Cellular Energy to Vectorial Transport Across the Membrane.
- The Polarity of the Amino Acid Residue 118 of Calcineurin B is Closely Linked to Calcineurin Enzyme Activity
- Ion-Releasing State of a Secondary Membrane Transporter.
- Calcineurin Regulatory Subunit B is a Unique Calcium Sensor that Regulates Calcineurin in Both Calcium-dependent and Calcium-independent Manner.
- Solution 1H NMR Study of the Active Site Structure for the Double Mutant H64Q/V68F Cyanide Complex from Mouse Neuroglobin.
Giray Enkavi, Jing Li, Po-Chao Wen, Sundar Thangapandian, Mahmoud Moradi, Tao Jiang, Wei Han, and Emad Tajkhorshid. Annual Reports in Computational Chemistry, 2014.
Jing Li, Saher A. Shaikh, Giray Enkavi, Po-Chao Wen, Zhijian Huang, and Emad Tajkhorshid. PNAS, 2013.
Saher A. Shaikh, Jing Li, Giray Enkavi, Po-Chao Wen, Zhijian Huang, and Emad Tajkhorshid. Biochemistry, 2013.
Giray Enkavi, Jing Li, Paween Mahinthichaichan, Po-Chao Wen, Zhijian Huang, Saher A. Shaikh, and Emad Tajkhorshid. Methods in Molecular Biology, 2013.
Jing Li, Emad Tajkhorshid. BBA Biomembrane, 2012.
Ye-dan Feng, Jing Li, WenChang Zhou, ZhiGuang Jia and Qun Wei. BBA Protein and Proteomics, 2012.
Zhijian Huang, Saher A. Shaikh, Po-Chao Wen, Giray Enkavi, Jing Li, and Emad Tajkhorshid. Molecular Machines, World Scientific., 2011.
Qing Chen, Wu Wu, Jing Li and Qun Wei. IUBMB Life, 2010.
Jing Li, Emad Tajkhorshid. Biophysical Journal, 2009.
Jing Li, ZhiGuang Jia, WenChang Zhou, and Qun Wei. Proteins: Structure, Function, and Bioinformatics, 2009.
Guowei Yin, Yanjie Li, Juan Li, Jing Li, Weihong Du, Qun Wei, and Weihai Fang. Biophysical Chemistry, 2008.