Assistant Professor – Theoretical and Computational Chemistry
Research and/or Creative Works
Research in my group focuses on the innovation of and applications of multiscale modeling to understand complex chemical systems. We aim to elucidate the critical structure-mechanism-function relationships, and provide rational guide to help drug discovery and materials design.
Our current projects include the studies of peptide and protein assemblies, protein-sugar interactions, as well as organic, inorganic and hybrid materials, ranging from microscopic (~angstrom, ~nanosecond) to mesoscopic scales (~millimeter, ~millisecond).
Publications
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Click here for more publications (link to Prof. Li's Google Scholar Profile)
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T. Trinh, C. Liao, V. Toader, M. Barłóg, H. S. Bazzi, J. Li, H. F. Sleiman. "DNA-Imprinted Polymer Nanoparticles with Monodispersity and Prescribed DNA-Strand Patterns" Nature Chem. 2017, In Press.
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C. Liao, X. Zhao, M. Brewer, V. May, J. Li. "Conformational Transitions of the Pituitary Adenylate Cyclase-Activating Polypeptide Receptor, a Human Class B GPCR" Scientific Reports 2017, 7, 5427.
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K. E. Murphy, J. Bocanegra, X. Liu, K. Chau, P. Lee, J. Li, S. T. Schneebeli. "Precise Through Space Control of an Abiotic Electrophilic Aromatic Substitution Reaction" Nature Commun. 2017, 8, 14840.
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C. Liao, X. Zhao, J. Liu, S. T. Schneebeli, J. C. Shelley, J. Li. “Capturing the Multiscale Dynamics of Membrane Protein Complexes with All-Atom, Mixed-Resolution, and Coarse-Grained Models” Phys. Chem. Chem. Phys. 2017, 19, 9181–9188.
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M. Y. Shelley, M. E Selvan, J. Zhao, V. Babin, C. Liao, J. Li, J. C. Shelley. "A New Mixed All-Atom/Coarse-Grained Model: Application to Melittin Aggregation in Aqueous Solution" J. Chem. Theory Comput. 2017, 13, 3881–3897.
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Z. Zhang, S. Subramaniam, J. Kale, C. Liao, B. Huang, H. Brahmbhatt, S. G. F. Condon, S. M. Lapolla, F. A. Hays, J. Ding, F. He, X. C. Zhang, J. Li, A. Senes, D. W. Andrews, J. Lin. "BH3‐in‐groove Dimerization Initiates and Helix 9 Dimerization Expands Bax Pore Assembly in Membranes" EMBO J. 2016, 35 208–236.
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C. Liao, Z. Zhang, J. Kale, D. W. Andrews, J. Lin, J. Li. "Conformational Heterogeneity of Bax Helix 9 Dimer for Apoptotic Pore Formation" Scientific Reports 2016, 6, 29502.
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X. Liu, Z. J. Weinert, M. Sharafi, C. Liao, J. Li, S. T. Schneebeli. “Regulating Molecular Recognition with C-Shaped Strips Attained by Chirality-Assisted Synthesis” Angew. Chem. Int. Ed. 2015, 54, 12772–12776. Inside Cover.
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C. Liao, M. E. Selvan, J. Zhao, J. Slimovitch, S. T. Schneebeli, M. Shelley, J. Shelley, J. Li. “Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations” J. Phys. Chem. B 2015, 119, 10390–10398.
Awards and Recognition
- 2019 OpenEye Junior Faculty Award from American Chemical Society
- 2017 Committee for Professional Opportunities for Women Travel Award from Biophysical Society
- 2016 Top 10 Reviewers of Physical Chemistry Chemical Physics
- 2013 Outstanding Young Researcher Award at the Computational Biophysics to Systems Biology Workshop
Associations and Affiliations
Areas of Expertise and/or Research
Theoretical and computational chemistry, multiscale modeling, protein structure and mechanism, computer-aided drug discovery, new material design
Education
- M.A., Columbia University, NY, NY, 2007
- Ph.D., Columbia University, NY, NY, 2011
- Postdoctoral Fellowship, The University of Chicago, Chicago, IL, 2011–2014
Contact
- (802) 656-0251
Innovation Hall E348
Courses Taught
Chem 165 — Introductory Physical Chemistry (Fall 2017)
Chem 167 — Preparation for Physical Chemistry (Fall 2014, 2015, and Spring 2017)
Chem 260 — Advanced Physical Chemistry (Spring 2016, 2017)
Chem 160 — Quantum Chemistry (Fall 2014, 2015)
Chem 268 — Advanced Topics in Physical Chemistry: Computational Chemistry (Spring 2015, 2016)