UMD Affiliation
2016
- Oxidation increases the strength of the methionine-aromatic interaction. Lewis, A. K.; Dunleavy, K.; Senkow, T. L.; Her, C.; Horn, B. T.; Jersett, M. A.; Mahling, R.; McCarthy, M. R.; Perell, G. T.; Valley, C. C.; Karim, C. B.; Gao, J.; Pomerantz, W. C.; Thomas, D. D.; Cembran, A. C.; Hinderliter, A.; and Jonathan N. Sachs. Nat. Chem. Biol., 2016, Accepted.
No UMD Affiliation
2015
- Dysfunctional conformational dynamics of protein kinase A induced by a lethal mutant of phospholamban hinder phosphorylation. Kim, J.; Masterson, L. R.; Cembran, A.; Verardi, R.; Shi, L.; Gao, J.; Taylor, S. S.; Veglia, G. Proc. Natl. Acad. Sci. U.S.A., 2015, 112, 3716-3721.
2014
- Synchronous opening and closing motions are essential for cAMP-dependent protein kinase A signaling. Srivastava, A. K.; McDonald, L. R.; Cembran, A.; Kim, J.; Masterson, L. R.; McClendon, C. L.; Taylor, S. S.; Veglia, G. Structure, 2014, 22, 1-9.
- Investigating the role of a backbone to substrate hydrogen bond in OMP decarboxylase using a site-specific amide to ester substitution. Desai, B. J.; Goto, Y.; Cembran, A.; Fedorov, A. A.; Almo, S. C.; Gao, J.; Suga, H.; Gerlt, J. A. Proc. Natl. Acad. Sci. U.S.A., 2014, 111, 15066-15071.
- NMR mapping of protein conformational landscapes using coordinated behavior of chemical shifts upon ligand binding. Cembran, A.; Kim, J.; Gao, J.; Veglia, G. Phys. Chem. Chem. Phys., 2014, 16, 6508-6518.
2013
- Role of conformational entropy in the activity and regulation of the catalytic subunit of protein kinase A. Veglia, G.; Cembran, A. FEBS Journal, 2013, 280, 5608-5615.
- Concerted hydrogen atom and electron transfer mechanism for catalysis by lysine-specific demethylase. Yu, T.; Higashi, M.; Cembran, A.; Gao, J.; Truhlar, D. J. Phys. Chem. B, 2013, 117, 8422-8429.
- Connecting protein conformational dynamics with catalytic function as illustrated in dihydrofolate reductase. Fan, Y.; Cembran, A.; Ma, S.; Gao, J. Biochemistry, 2013, 52, 2036-2049.
2012
- Conformational equilibrium of N-myristoylated cAMP-dependent protein kinase A by molecular dynamics simulations. Cembran, A.; Masterson, L. R.; McClendon, C. L.; Taylor, S. S.; Gao, J.; Veglia, G. Biochemistry, 2012, 51, 10186-10196.
- The third dimension of a More O’Ferrall-Jencks diagram for hydrogen atom transfer in the isoelectronic hydrogen exchange reactions of (PhX)2H• with X = O, NH, and CH2. Cembran, A.; Provorse, M. R.; Wang, C.; Wu, W.; Gao, J. J. Chem. Theory Comput., 2012, 8, 4347-4358.
- Allostery and binding cooperativity of the catalytic subunit of protein kinase A by NMR spectroscopy and molecular dynamics simulations. Masterson, L. R.; Cembran, A.; Shi, L.; Veglia, G. Adv. Protein Chem. Struct. Biol., 2012, 87, 363-389.
- The methionine-aromatic motif plays a unique role in stabilizing protein structure. Valley, C. C.; Cembran, A.; Perlmutter, J. D.; Lewis, A. K.; Labello, N. P.; Gao, J.; Sachs, J. N. J. Biol. Chem., 2012, 287, 34979-34991.
- Multilevel X-Pol: a fragment-based method with mixed quantum mechanical representations of different fragments. Wang, Y.; Sosa, C. P.; Cembran, A.; Truhlar, D. G.; Gao, J. J. Phys. Chem. B, 2012, 116, 6781-6788.
2011
- Flickering dipoles in the gas phase: structures, internal dynamics, and dipole moments of β-naphthol-H2O in its ground and excited electronic states. Fleisher, A. J.; Young, J. W.; Pratt, D. W.; Cembran, A.; and Gao, J. J. Chem. Phys., 2011, 134, 114304.