| On the Mechanism of the cis-trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1 A Cembran, F Bernardi, M Garavelli, L Gagliardi, G Orlandi Journal of the American Chemical Society 126 (10), 3234-3243, 2004 | 584 | 2004 |
| The methionine-aromatic motif plays a unique role in stabilizing protein structure CC Valley, A Cembran, JD Perlmutter, AK Lewis, NP Labello, J Gao, ... Journal of Biological Chemistry 287 (42), 34979-34991, 2012 | 326 | 2012 |
| A theoretical study of the lowest electronic states of azobenzene: the role of torsion coordinate in the cis–trans photoisomerization L Gagliardi, G Orlandi, F Bernardi, A Cembran, M Garavelli Theoretical Chemistry Accounts 111, 363-372, 2004 | 176 | 2004 |
| The retinal chromophore/chloride ion pair: Structure of the photoisomerization path and interplay of charge transfer and covalent states A Cembran, F Bernardi, M Olivucci, M Garavelli Proceedings of the National Academy of Sciences of the United States of …, 2005 | 132 | 2005 |
| Block-localized density functional theory (BLDFT), diabatic coupling, and their use in valence bond theory for representing reactive potential energy surfaces A Cembran, L Song, Y Mo, J Gao Journal of chemical theory and computation 5 (10), 2702-2716, 2009 | 130 | 2009 |
| Kinetic isotope effects from hybrid classical and quantum path integral computations Gao, J., KY Wong, DT Major, A Cembran, L Song, Y Lin, Y Fan, S Ma Quantum Tunnelling in Enzyme-Catalysed Reactions, 105-131, 2009 | 129* | 2009 |
| Structure of the Conical Intersections Driving the cis–trans Photoisomerization of Conjugated Molecules D Sampedro Ruiz, A Cembran, M Garavelli, M Olivucci, W Fuß Photochemistry and photobiology 76 (6), 622-633, 2002 | 118 | 2002 |
| Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping P Altoč, A Cembran, M Olivucci, M Garavelli Proceedings of the National Academy of Sciences 107 (47), 20172-20177, 2010 | 104 | 2010 |
| Counterion controlled photoisomerization of retinal chromophore models: a computational investigation A Cembran, F Bernardi, M Olivucci, M Garavelli Journal of the American Chemical Society 126 (49), 16018-16037, 2004 | 104 | 2004 |
| Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: The β-ionone “handle” and alkyl group effect A Cembran, R González-Luque, P Altoč, M Merchán, F Bernardi, ... The Journal of Physical Chemistry A 109 (29), 6597-6605, 2005 | 101 | 2005 |
| Connecting protein conformational dynamics with catalytic function as illustrated in dihydrofolate reductase Y Fan, A Cembran, S Ma, J Gao Biochemistry 52 (12), 2036-2049, 2013 | 89 | 2013 |
| Cyclooctatetraene computational photo-and thermal chemistry: A reactivity model for conjugated hydrocarbons M Garavelli, F Bernardi, A Cembran, O Castańo, LM Frutos, M Merchán, ... Journal of the American Chemical Society 124 (46), 13770-13789, 2002 | 86 | 2002 |
| Complete-active-space self-consistent-field/Amber parameterization of the Lys296–retinal–Glu113 rhodopsin chromophore-counterion system N Ferre, A Cembran, M Garavelli, M Olivucci Theoretical Chemistry Accounts: Theory, Computation, and Modeling …, 2004 | 82 | 2004 |
| Controlling the inhibition of the sarcoplasmic Ca2+-ATPase by tuning phospholamban structural dynamics KN Ha, NJ Traaseth, R Verardi, J Zamoon, A Cembran, CB Karim, ... Journal of Biological Chemistry 282 (51), 37205-37214, 2007 | 78 | 2007 |
| Synchronous opening and closing motions are essential for cAMP-dependent protein kinase A signaling AK Srivastava, LR McDonald, A Cembran, J Kim, LR Masterson, ... Structure 22 (12), 1735-1743, 2014 | 74 | 2014 |
| Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins A Migani, A Sinicropi, N Ferré, A Cembran, M Garavelli, M Olivucci Faraday Discuss. 127, 179-191, 2004 | 70 | 2004 |
| Oxidation increases the strength of the methionine-aromatic interaction AK Lewis, KM Dunleavy, TL Senkow, C Her, BT Horn, MA Jersett, ... Nature chemical biology 12 (10), 860-866, 2016 | 62 | 2016 |
| On the function of pentameric phospholamban: ion channel or storage form? L Becucci, A Cembran, CB Karim, DD Thomas, R Guidelli, J Gao, ... Biophysical journal 96 (10), L60-L62, 2009 | 62 | 2009 |
| A refinement protocol to determine structure, topology, and depth of insertion of membrane proteins using hybrid solution and solid-state NMR restraints L Shi, NJ Traaseth, R Verardi, A Cembran, J Gao, G Veglia Journal of biomolecular NMR 44, 195-205, 2009 | 61 | 2009 |
| NMR mapping of protein conformational landscapes using coordinated behavior of chemical shifts upon ligand binding A Cembran, J Kim, J Gao, G Veglia Physical Chemistry Chemical Physics 16 (14), 6508-6518, 2014 | 60 | 2014 |
Jiali GaoShenzhen Bay Laboratory and University of MinnesotaVerified email at jialigao.org
