Ksenia Bravaya
Ksenia Bravaya
Verified email at bu.edu
Title
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Year
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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
1362017
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
1202012
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
1032007
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
902010
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
862014
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
862011
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
842014
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
842010
Extending quantum chemistry of bound states to electronic resonances
TC Jagau, KB Bravaya, AI Krylov
Annual review of physical chemistry 68, 2017
782017
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
692010
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
602012
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
582013
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
582009
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
562014
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
492011
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
442016
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
442009
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
422012
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
392012
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Articles 1–20