| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Liu DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... J., Wu, X., Brozell, SR, Steinbrecher, T., Gohlke, H., Cai, Q., Ye, X., Wang …, 2012 | 167* | 2012 |
| Photoinduced chemistry in fluorescent proteins: Curse or blessing? A Acharya, AM Bogdanov, BL Grigorenko, KB Bravaya, AV Nemukhin, ... Chemical reviews 117 (2), 758-795, 2017 | 136 | 2017 |
| Quantum chemistry behind bioimaging: insights from ab initio studies of fluorescent proteins and their chromophores KB Bravaya, BL Grigorenko, AV Nemukhin, AI Krylov Accounts of chemical research 45 (2), 265-275, 2012 | 120 | 2012 |
| An Opsin Shift in Rhodopsin: Retinal S0− S1 Excitation in Protein, in Solution, and in the Gas Phase K Bravaya, A Bochenkova, A Granovsky, A Nemukhin Journal of the American Chemical Society 129 (43), 13035-13042, 2007 | 103 | 2007 |
| Electronic structure and spectroscopy of nucleic acid bases: ionization energies, ionization-induced structural changes, and photoelectron spectra KB Bravaya, O Kostko, S Dolgikh, A Landau, M Ahmed, AI Krylov The Journal of Physical Chemistry A 114 (46), 12305-12317, 2010 | 90 | 2010 |
| A fresh look at resonances and complex absorbing potentials: density matrix-based approach TC Jagau, D Zuev, KB Bravaya, E Epifanovsky, AI Krylov The journal of physical chemistry letters 5 (2), 310-315, 2014 | 86 | 2014 |
| Effect of protein environment on electronically excited and ionized states of the green fluorescent protein chromophore KB Bravaya, MG Khrenova, BL Grigorenko, AV Nemukhin, AI Krylov The Journal of Physical Chemistry B 115 (25), 8296-8303, 2011 | 86 | 2011 |
| Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ... The Journal of chemical physics 141 (2), 024102, 2014 | 84 | 2014 |
| The effect of π-stacking, H-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine–adenine, thymine–thymine and adenine–thymine dimers KB Bravaya, O Kostko, M Ahmed, AI Krylov Physical Chemistry Chemical Physics 12 (10), 2292-2307, 2010 | 84 | 2010 |
| Extending quantum chemistry of bound states to electronic resonances TC Jagau, KB Bravaya, AI Krylov Annual review of physical chemistry 68, 2017 | 78 | 2017 |
| Ionization of cytosine monomer and dimer studied by VUV photoionization and electronic structure calculations O Kostko, K Bravaya, A Krylov, M Ahmed Physical Chemistry Chemical Physics 12 (12), 2860-2872, 2010 | 69 | 2010 |
| Ionization of dimethyluracil dimers leads to facile proton transfer in the absence of hydrogen bonds A Golan, KB Bravaya, R Kudirka, O Kostko, SR Leone, AI Krylov, ... Nature chemistry 4 (4), 323-329, 2012 | 60 | 2012 |
| Complex-scaled equation-of-motion coupled-cluster method with single and double substitutions for autoionizing excited states: Theory, implementation, and examples KB Bravaya, D Zuev, E Epifanovsky, AI Krylov The Journal of chemical physics 138 (12), 124106, 2013 | 58 | 2013 |
| Gas phase absorption studies of photoactive yellow protein chromophore derivatives T Rocha-Rinza, O Christiansen, J Rajput, A Gopalan, DB Rahbek, ... The Journal of Physical Chemistry A 113 (34), 9442-9449, 2009 | 58 | 2009 |
| Chromophore photoreduction in red fluorescent proteins is responsible for bleaching and phototoxicity RB Vegh, KB Bravaya, DA Bloch, AS Bommarius, LM Tolbert, ... The Journal of Physical Chemistry B 118 (17), 4527-4534, 2014 | 56 | 2014 |
| Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore D Zuev, KB Bravaya, TD Crawford, R Lindh, AI Krylov The Journal of chemical physics 134 (3), 034310, 2011 | 49 | 2011 |
| Turning on and off photoinduced electron transfer in fluorescent proteins by π-stacking, halide binding, and Tyr145 mutations AM Bogdanov, A Acharya, AV Titelmayer, AV Mamontova, KB Bravaya, ... Journal of the American Chemical Society 138 (14), 4807-4817, 2016 | 44 | 2016 |
| Photoabsorption studies of neutral green fluorescent protein model chromophores in vacuo J Rajput, DB Rahbek, LH Andersen, T Rocha-Rinza, O Christiansen, ... Physical Chemistry Chemical Physics 11 (43), 9996-10002, 2009 | 44 | 2009 |
| Insight into the common mechanism of the chromophore formation in the red fluorescent proteins: the elusive blue intermediate revealed KB Bravaya, OM Subach, N Korovina, VV Verkhusha, AI Krylov Journal of the American Chemical Society 134 (5), 2807-2814, 2012 | 42 | 2012 |
| Four bases score a run: ab initio calculations quantify a cooperative effect of H-bonding and π-stacking on the ionization energy of adenine in the AATT tetramer KB Bravaya, E Epifanovsky, AI Krylov The journal of physical chemistry letters 3 (18), 2726-2732, 2012 | 39 | 2012 |
