Chemistry Faculty & Staff

Dr. Jin Liu

Professor Jin Liu


Research Assistant Professor  Office: 337 Dedman Life Science
Department of Chemistry Phone: (214) 768-4734
Southern Methodist University Fax: (214) 768-4089
PO Box 750314 e-mail: liuj@smu.edu
Dallas, TX 75275-0314    


Education:

Research Assistant Professor, Southern Methodist University, 2013-

Computational Biologist III, UT Southwestern, 2013-

Research Scientist II, US Army Medical Research and Materiel Command, 2011-2013

Postdoctoral Research Fellow, National Institutes of Health, 2005-2011

Ph.D. (Chemistry), The Ohio State University, 2005

B.S. (Chemistry), Peking University, China, 2000


Research Interests:

  • Investigation of the role of protein allostery plays in cell signaling using computational chemistry and computational biology methods
  • Development of new methodologies to understand allosteric pathways and to identify allosteric sites of proteins
  • Design of allosteric drugs for neurodegenerative diseases
  • Exploration of neurotransmitter release mechanism using molecular dynamics simulations

Selected Publications:

Liu, J.*; Tawa, J.; Wallqvist, A.; “Identifying cytochrome P450 functional networks and their allosteric regulatory elements” PLoS One 2013, 8(12): e81980

Liu, J.; Nussinov, R.; “The role of allostery in the ubiquitin-proteasome system.” Crit. Rev. Biochem. Mol. Bio. 2013, 48(2), 89-97.

Liu, R., Liu, J., Tawa, G., Wallqvist, A.; “2D SMARTCyp reactivity-based site of metabolism prediction for major drug-metabolizing cytochrome P450 enzymes.” J Chem Inf Model. 2012, 52(6), 1698-712.

Ripoll, D.; Khavrutskii, I. V.; Chaudhury S.; Liu, J.; Kuschner, R.; Wallqvist, A.; Reifman J.; “Quantitative predictions of binding free energy changes in drug-resistant influenza neuraminidase.” PLoS Comput. Biol. 2012, 8(8), e1002665.

Liu, J.; Nussinov, R.; “The conformational control distinction of Cul1, Cul4A, and cul5 in cullin-RING E3 ligases”,  J. Biol. Chem. 2011, 286(47), 40934-42.

Liu, J.; Nussinov, R.; “Rbx1 flexible linker facilitates cullin-RING ligase function before neddylation and after deneddylation”, Biophys. J. 2010, 99(3), 736-44.

Liu, J.; Nussinov, R.; “Molecular dynamics reveal the essential role of linker motions in the function of cullin-RING E3 ligases”, J. Mol. Biol. 2010, 99(3), 736-44.

Liu, J.; Nussinov, R.; “The mechanism of ubiquitination in the cullin-RING E3 ligase machinery: Conformational control of substrate orientation”, PLoS. Comput. Biol. 2009, 5(10), e1000527.

Liu, J.; Nussinov, R.; “Allosteric effects in the marginally stable von Hippel-Lindau tumor suppressor protein and rescue mutant design”, Proc. Natl. Acad. Sci. USA 2008, 105(3), 901-906.

Hwang, Y.; Liu, J.; Lenhart, J. M.; Hadad, C. M.; “Surface complexes of phthalic acid at the hematite/water interfaceJ Colloid Interface Sci. 2007, 307(1), 124-34.

Liu, J.; Pan, Y.; Ma, B.; Nussinov, R.; ““Similarity Trap” in protein-protein interactions could be carcinogenic: simulations of p53 core domain complexed with 53BP1 and BRCA1 BRCT domains”, Structure 2006, 14, 1811-1821

Liu, J.; Hadad, C. M.; Platz, M. S.; “The reaction of triplet nitrene with oxygen: A computational study.” Org. Lett. 2005, 7(4), 549-552

Mandel, S.; Liu, J.; Hadad, C. M.; Platz, M. S.; “A study of singlet and triplet 2,6 – difluorophenylnitrene by time resolved infrared spectroscopy” J. Phys. Chem. A 2005, 109, 2816-2821

Liu, J.; Mandel, S.; Hadad, C. M.; Platz, M. S.; “A comparison of acetyl and methoxycarbonylnitrenes by computational methods ands laser flash photolysis study of benzoylnitrene.” J. Org. Chem. 2004, 69, 8583-8593.