Publication list - The laboratory of quantum photodynamics

@article{doi:10.1021/acs.jpcb.2c00643,

title = {Protein Mobility Measurements through Oxidative Green-to-Red Photoconversion of EGFP},

author = {Vladimir E. Bochenkov and Nina S. Sopova and Aleksander M. Shakhov and Artyom A. Astafiev and Anastasia V. Bochenkova},

url = {https://doi.org/10.1021/acs.jpcb.2c00643},

doi = {10.1021/acs.jpcb.2c00643},

year  = {2022},

date = {2022-06-03},

urldate = {2022-06-03},

journal = {The Journal of Physical Chemistry B},

volume = {126},

issue = {23},

pages = {4184–4188},

abstract = {Protein dynamics plays a key role in live cell functioning, stimulating the development of new experimental techniques for studying protein transport phenomena. Here, we introduce a relaxation method that is based on the rapid formation of a nonequilibrium concentration profile of the enhanced green fluorescent protein (EGFP) across a sample by its oxidative green-to-red photoconversion. Following the blue-light irradiation of a part of a sample containing EGFP and an oxidant, the diffusion-controlled response of a system is monitored. Changes in the concentration of the initial green-emitting and oxidized red-emitting forms are simultaneously tracked by fluorescence lifetime measurements using the time-correlated single photon counting. We show that the diffusion coefficient of EGFP in water, determined by this method, is in good agreement with previously published data. This approach opens a way for the studies of intracellular viscosity changes combined with sensing of elevated levels of reactive oxygen species.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gruber2021,

title = {Light Driven Ultrafast Bioinspired Molecular Motors: Steering and Accelerating Photoisomerization Dynamics of Retinal},

author = {E. Gruber and A. M. Kabylda and M. B. Nielsen and A. P. Rasmussen and R. Teiwes and P. A. Kusochek and A. V. Bochenkova and L. H. Andersen},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122207922&doi=10.1021%2fjacs.1c10752&partnerID=40&md5=3a578161de96a630322dcf7146d53bbf},

doi = {10.1021/jacs.1c10752},

year  = {2022},

date = {2022-01-01},

urldate = {2021-01-01},

journal = {Journal of the American Chemical Society},

volume = {144},

number = {1},

pages = {69–73},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{fielding2022liquid-microjet429253392,

title = {Liquid-microjet photoelectron spectroscopy of the green fluorescent protein chromophore},

author = {Omri Tau and Alice Henley and Anton N. Boichenko and Nadezhda N. Kleshchina and River Riley and Bingxing Wang and Danielle Winning and Ross Lewin and Ivan P. Parkin and John M. Ward and Helen C. Hailes and Anastasia V. Bochenkova and Helen H. Fielding},

doi = {10.1038/s41467-022-28155-5},

issn = {2041-1723},

year  = {2022},

date = {2022-01-01},

journal = {Nature communications},

volume = {13},

number = {1},

pages = {507},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Finenko_2022,

title = {Trajectory-based Simulation of Far-infrared Collision-induced Absorption Profiles of CH4–N2 for Modeling Titan's Atmosphere},

author = {Artem A. Finenko and Bruno Bézard and Iouli E. Gordon and Daniil N. Chistikov and Sergei E. Lokshtanov and Sergey V. Petrov and Andrey A. Vigasin},

url = {https://doi.org/10.3847/1538-4365/ac36d3},

doi = {10.3847/1538-4365/ac36d3},

year  = {2022},

date = {2022-01-01},

journal = {The Astrophysical Journal Supplement Series},

volume = {258},

number = {2},

pages = {33},

publisher = {American Astronomical Society},

abstract = {We report the results of the trajectory-based simulation of far-infrared collision-induced absorption (CIA) due to CH4–N2 pairs at temperatures between 70 and 400 K. Our analysis utilizes recently calculated high-level potential energy and induced dipole surfaces. Treating collision partners as rigid rotors, the time evolution of interaction-induced dipole is accumulated over a vast ensemble of classical trajectories and subsequently transformed into a CIA spectrum via Fourier transform. In our calculations, both bound and unbound states are properly accounted for, and the rigorous theory of lower-order spectral moments is addressed to check the accuracy of simulated profiles. Classically derived trajectory-based profiles are subject to two approximate desymmetrization procedures so that resulting profiles conform to the quantum principle of detailed balance. The simulated profiles are compared to laboratory measurements and employed for modeling Titan’s spectra in the 50–500 cm−1 range. Based on the desymmetrized simulated profiles, a new semiempirical model for CH4–N2 CIA is proposed for modeling Titan’s infrared spectra. Synthetic spectra derived using this model yield an excellent agreement with the data recorded by the Composite Infrared Spectrometer aboard the Cassini spacecraft at low and high emission angles.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{PhysRevA.104.062809,

title = {High-resolution spectroscopy of neutral Yb atoms in a solid Ne matrix},

author = {R. Lambo and C. -Y. Xu and S. T. Pratt and H. Xu and J. C. Zappala and K. G. Bailey and Z. -T. Lu and P. Mueller and T. P. O'Connor and B. B. Kamorzin and D. S. Bezrukov and Y. -Q. Xie and A. A. Buchachenko and J. T. Singh},

url = {https://link.aps.org/doi/10.1103/PhysRevA.104.062809},

doi = {10.1103/PhysRevA.104.062809},

year  = {2021},

date = {2021-12-01},

journal = {Phys. Rev. A},

volume = {104},

issue = {6},

pages = {062809},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sinenko2021,

title = {Designing red-shifted molecular emitters based on the annulated locked GFPchromophore derivatives},

author = {G. D. Sinenko and D. A. Farkhutdinova and I. N. Myasnyanko and N. S. Baleeva and M. S. Baranov and A. V. Bochenkova},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85121343375&doi=10.3390%2fijms222413645&partnerID=40&md5=3538db985b54d3e96fac059fa8c047d4},

doi = {10.3390/ijms222413645},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {International Journal of Molecular Sciences},

volume = {22},

number = {24},

pages = {13645},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kusochek2021407,

title = {Role of the Protein Environment in Photoisomerization of Type I and Type II Rhodopsins: a Theoretical Perspective},

author = {P. A. Kusochek and V. V. Logvinov and A. V. Bochenkova},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85120800108&doi=10.3103%2fS0027131421060110&partnerID=40&md5=9aa76018ed468350c52c3a510602ec38},

doi = {10.3103/S0027131421060110},

year  = {2021},

date = {2021-01-01},

journal = {Moscow University Chemistry Bulletin},

volume = {76},

number = {6},

pages = {407-416},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Woodhouse202119911,

title = {A photoelectron imaging study of the deprotonated GFP chromophore anion and RNA fluorescent tags},

author = {J. L. Woodhouse and A. Henley and R. Lewin and J. M. Ward and H. C. Hailes and A. V. Bochenkova and H. H. Fielding},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85115161760&doi=10.1039%2fd1cp01901e&partnerID=40&md5=863bc75523bba807d54997ebec70bf38},

doi = {10.1039/d1cp01901e},

year  = {2021},

date = {2021-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {23},

number = {35},

pages = {19911-19922},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Langeland2021833,

title = {Controlling Light-Induced Proton Transfer from the GFP Chromophore},

author = {J. Langeland and N. W. Persen and E. Gruber and H. V. Kiefer and A. M. Kabylda and A. V. Bochenkova and L. H. Andersen},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85103005042&doi=10.1002%2fcphc.202100068&partnerID=40&md5=1df0ae77136fe69da61f39ce481f3c74},

doi = {10.1002/cphc.202100068},

year  = {2021},

date = {2021-01-01},

journal = {ChemPhysChem},

volume = {22},

number = {9},

pages = {833-841},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kusochek20218664,

title = {Insights into the Early-Time Excited-State Dynamics of Structurally Inhomogeneous Rhodopsin KR2},

author = {P. A. Kusochek and A. V. Scherbinin and A. V. Bochenkova},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85115127132&doi=10.1021%2facs.jpclett.1c02312&partnerID=40&md5=7b1e1d6f9cadea4f28d009ab08637313},

doi = {10.1021/acs.jpclett.1c02312},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Physical Chemistry Letters},

pages = {8664-8671},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{baimiev2021antibacterial370246540,

title = {Antibacterial activity of noscapine analogs},

author = {Ya A. Ivanenkov and K. Yu Filyaeva and R. T. Matniyazov and A. Kh Baymiev and A. A. Vladimirova and R. S. Yamidanov and A. R. Mavzyutov and Z. R. Zileeva and L. F. Zainullina and J. V. Vakhitova and V. I. Marina and V. A. Terentiev and I. A. Osterman and V. G. Kartsev and D. S. Bezrukov and O. A. Dontsova},

doi = {10.1016/j.bmcl.2021.128055},

issn = {1464-3405; 0960-894X},

year  = {2021},

date = {2021-01-01},

journal = {Bioorganic and Medicinal Chemistry Letters},

volume = {43},

number = {4},

pages = {128055},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021generic373433247,

title = {Generic accommodations of an atom in the Lennard-Jones fcc and hcp rare-gas solids: A computational study},

author = {G. K. Ozerov and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1103/PhysRevB.103.184110},

issn = {0163-1829; 2469-9950; 2469-9969; 1098-0121},

year  = {2021},

date = {2021-01-01},

journal = {Physical Review B},

volume = {103},

pages = {184110},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021modeling358168195,

title = {Modeling of the thermal migration mechanisms of atomic oxygen in Ar, Kr, and Xe crystals},

author = {I. V. Leibin and I. S. Kalinina and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1063/5.0038294},

issn = {1089-7690; 0021-9606},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Chemical Physics},

volume = {154},

pages = {044305},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021molecular358168286,

title = {Molecular dynamics simulations of the Ba+ ion mobility in liquid xenon},

author = {G. K. Ozerov and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1088/1742-6596/1740/1/012033},

issn = {1742-6596; 1742-6588},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Physics: Conference Series},

volume = {1740},

publisher = {[Bristol, UK], England},

address = {[Bristol, UK], England},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{krylov-is2021solid370246599,

title = {Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?},

author = {P. Pokhilko and D. S. Bezrukov and A. I. Krylov},

doi = {10.1021/acs.jpcc.1c01548},

issn = {1932-7455; 1932-7447},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Journal of Physical Chemistry C},

volume = {125},

pages = {7502},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021trapping406693908,

title = {Trapping and migration of P-state atoms in rare gas solids: effect of angular momentum anisotropy for model O(3P) and C(3P) atoms},

author = {I. V. Leibin and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1080/00268976.2021.1995633},

issn = {1362-3028; 0026-8976},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Molecular Physics},

pages = {e1995633},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{filippov2021co2co2332705505,

title = {CO2–CO2 and CO2–Ar continua at millimeter wavelengths},

author = {T. A. Odintsova and E. A. Serov and A. A. Balashov and M. A. Koshelev and A. O. Koroleva and A. A. Simonova and M. Yu Tretyakov and N. N. Filippov and D. N. Chistikov and A. A. Finenko and S. E. Lokshtanov and S. V. Petrov and A. A. Vigasin},

doi = {10.1016/j.jqsrt.2020.107400},

issn = {0022-4073},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},

volume = {258},

pages = {107400--107400-10},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{kalugina2021simulation388689613,

title = {Simulation of collision-induced absorption spectra based on classical trajectories and ab initio potential and induced dipole surfaces. II. CO2–Ar rototranslational band including true dimer contribution},

author = {Daniil N. Chistikov and Artem A. Finenko and Yulia N. Kalugina and Sergei E. Lokshtanov and Sergey V. Petrov and Andrey A. Vigasin},

doi = {10.1063/5.0060779},

issn = {1089-7690; 0021-9606},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Chemical Physics},

volume = {155},

number = {6},

pages = {064301-1--064301-17},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{conway2021fitting388689631,

title = {Fitting potential energy and induced dipole surfaces of the van der Waals complex CH4-N2 using non-product quadrature grids},

author = {Artem A. Finenko and Daniil N. Chistikov and Yulia N. Kalugina and Eamon K. Conway and Iouli E. Gordon},

doi = {10.1039/d1cp02161c},

issn = {1463-9084; 1463-9076},

year  = {2021},

date = {2021-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {23},

pages = {18475--18494},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bochenkov20201,

title = {Plasmon-enhanced fluorescence of EGFP on short-range ordered ag nanohole arrays},

author = {V. E. Bochenkov and E. M. Lobanova and A. M. Shakhov and A. A. Astafiev and A. M. Bogdanov and V. A. Timoshenko and A. V. Bochenkova},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85098198566&doi=10.3390%2fnano10122563&partnerID=40&md5=f67a6dab91e0a2e939027d3fbc1e238f},

doi = {10.3390/nano10122563},

year  = {2020},

date = {2020-01-01},

journal = {Nanomaterials},

volume = {10},

number = {12},

pages = {1-11},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gorbachev2020,

title = {A General Mechanism of Green-to-Red Photoconversions of GFP},

author = {D. A. Gorbachev and E. F. Petrusevich and A. M. Kabylda and E. G. Maksimov and K. A. Lukyanov and A. M. Bogdanov and M. S. Baranov and A. V. Bochenkova and A. S. Mishin},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089436745&doi=10.3389%2ffmolb.2020.00176&partnerID=40&md5=7c60266dafb79a06b7700118ceac4818},

doi = {10.3389/fmolb.2020.00176},

year  = {2020},

date = {2020-01-01},

journal = {Frontiers in Molecular Biosciences},

volume = {7},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Anstöter2020,

title = {Mode-Specific Vibrational Autodetachment following Excitation of Electronic Resonances by Electrons and Photons},

author = {C. S. Anstöter and G. Mensa-Bonsu and P. Nag and M. Ranković and R. Kumar T. P. and A. N. Boichenko and A. V. Bochenkova and J. Fedor and J. R. R. Verlet},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85085841185&doi=10.1103%2fPhysRevLett.124.203401&partnerID=40&md5=59a9d8f6a553bb73946c1411aa9d5843},

doi = {10.1103/PhysRevLett.124.203401},

year  = {2020},

date = {2020-01-01},

journal = {Physical Review Letters},

volume = {124},

number = {20},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{aladinskaya2020identification194247474,

title = {Identification of pyrrolo-pyridine derivatives as novel class of antibacterials},

author = {Mark S. Veselov and Yan A. Ivanenkov and Renat S. Yamidanov and Ilya A. Osterman and Petr V. Sergiev and Vladimir A. Aladinskiy and Anastasia V. Aladinskaya and Victor A. Terentiev and Andrey A. Ayginin and Dmitry A. Skvortsov and Katerina S. Komarova and Alexey V. Chemeris and Alexey Kh Baimiev and Alina A. Sofronova and Alexey E. Machulkin and Rostislav A. Petrov and Svetlana Yu Maklakova and Dmitry S. Bezrukov and Gleb I. Filkov and Liana F. Zainullina and Marina A. Maximova and Zulfiya R. Zileeva and Victor G. Kartsev and Yulia V. Vakhitova and Olga A. Dontsova},

doi = {10.1007/s11030-019-09946-3},

issn = {1573-501X; 1381-1991},

year  = {2020},

date = {2020-01-01},

journal = {Molecular Diversity},

volume = {24},

number = {1},

pages = {233--239},

publisher = {Switzerland},

address = {Switzerland},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{deyneka2020tetrahydrocarbazoles303350217,

title = {Tetrahydrocarbazoles as Novel Class of DNA Biosynthesis Inhibitors in Bacteria},

author = {Yan A. Ivanenkov and Ilya A. Osterman and Ekaterina S. Komarova and Alexey A. Bogdanov and Petr V. Sergiev and Olga A. Dontsova and Alina A. Sofronova and Victor A. Terentiev and Gleb I. Filkov and Renat S. Yamidanov and Alexander G. Majouga and Dmitry S. Bezrukov and Ekaterina V. Deyneka and Dmitry A. Skvortsov},

doi = {10.2174/2211352517666181218155259},

issn = {1871-5214},

year  = {2020},

date = {2020-01-01},

journal = {Anti-Infective Agents in Medicinal Chemistry},

volume = {18},

number = {2},

pages = {121--127},

publisher = {Netherlands},

address = {Netherlands},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2020trapping283398855,

title = {Trapping sites of Li atom in the rare gascrystals Ar, Kr, and Xe: Analysis of stabilityand manifestation in the EPR spectra},

author = {A. S. Tarakanova and A. A. Buchachenko and D. S. Bezrukov},

doi = {10.1063/10.0000535},

issn = {1090-6517; 1063-777X},

year  = {2020},

date = {2020-01-01},

journal = {Low Temperature Physics},

volume = {46},

pages = {165--172},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{tretyakov2020continuum264636794,

title = {Continuum absorption of millimeter waves in nitrogen},

author = {E. A. Serov and A. A. Balashov and M. Yu Tretyakov and T. A. Odintsova and M. A. Koshelev and D. N. Chistikov and A. A. Finenko and S. E. Lokshtanov and S. V. Petrov and A. A. Vigasin},

doi = {10.1016/j.jqsrt.2019.106774},

issn = {0022-4073},

year  = {2020},

date = {2020-01-01},

journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},

volume = {242},

pages = {106774--106774-9},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{petrov2020was-sommerfeld321980553,

title = {Was Sommerfeld wrong? (To the history of the appearance of spin in relativistic wave equations)},

author = {S. V. Petrov},

doi = {10.3367/UFNe.2019.11.038695},

issn = {1468-4780; 1063-7869},

year  = {2020},

date = {2020-01-01},

journal = {Physics Uspekhi},

volume = {63},

number = {7},

publisher = {Russian Federation},

address = {Russian Federation},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{kazakov2020coriolis293622507,

title = {Coriolis effects in the rovibrational structure of an atom-diatom dimer},

author = {Daniil N. Chistikov and Artem A. Finenko and Konstantin V. Kazakov},

doi = {10.1016/j.jqsrt.2020.106874},

issn = {0022-4073},

year  = {2020},

date = {2020-01-01},

journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},

volume = {245},

pages = {106874},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{seleznev2020spin-tensor290191886,

title = {Spin-tensor multireference first-order polarization propagator approximation in comparison with several multireference methods on the example of low-lying electronic states of the CH+ ion},

author = {Alexey O. Seleznev and Vladimir F. Khrustov},

doi = {10.1016/j.comptc.2020.112733},

issn = {2210-271X},

year  = {2020},

date = {2020-01-01},

journal = {Computational and theoretical chemistry},

volume = {1175},

pages = {112733},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{krasnoshchekov2020normal294049445,

title = {Normal ordering of the su(1, 1) ladder operators for the quasi-number states of the Morse oscillator},

author = {Chang Xuanhao and Sergey V. Krasnoshchekov and Vladimir I. Pupyshev and Dmitry V. Millionshchikov},

doi = {10.1016/j.physleta.2020.126493},

issn = {0375-9601},

year  = {2020},

date = {2020-01-01},

journal = {Physics Letters, Section A: General, Atomic and Solid State Physics},

volume = {384},

number = {19},

pages = {126493},

publisher = {Netherlands},

address = {Netherlands},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{montgomery-jr2019dipole237461802,

title = {Dipole polarizability for confined two-electron atomic systems: simple approximations},

author = {H. E. Montgomery and V. I. Pupyshev},

doi = {10.1088/1402-4896/ab45a1},

issn = {0281-1847; 1402-4896; 0031-8949},

year  = {2020},

date = {2020-01-01},

journal = {Physica Scripta},

volume = {95},

number = {1},

pages = {015402},

publisher = {Sweden},

address = {Sweden},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

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title = {Excited-state locked amino analogues of the green fluorescent protein chromophore with a giant Stokes shift},

author = {Snizhana O Zaitseva and Dilara A Farkhutdinova and Nadezhda S Baleeva and Alexander Yu Smirnov and Marina B Zagudaylova and Aleksander M Shakhov and Artyom A Astafiev and Mikhail S Baranov and Anastasia V Bochenkova},

doi = {10.1039/C9RA08808C},

issn = {2046-2069},

year  = {2019},

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title = {Intrinsic photoisomerization dynamics of protonated Schiff-base retinal},

author = {Hjalte V Kiefer and Gruber Elisabeth and Langeland Jeppe and Pavel A Kusochek and Anastasia V Bochenkova and Lars H Andersen},

doi = {10.1038/s41467-019-09225-7},

issn = {2041-1723},

year  = {2019},

date = {2019-01-01},

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title = {Potential functions of internal rotation of the methacryloyl fluoride molecule in the ground (S0) and excited (S1) electronic states},

author = {Lidiya A Koroleva and Alexander V Abramenkov and Sergey V Krasnoshchekov and Alexandra V Korolyova and Anastasia V Bochenkova},

doi = {10.1016/j.molstruc.2018.12.065},

issn = {0022-2860},

year  = {2019},

date = {2019-01-01},

journal = {Journal of Molecular Structure},

volume = {1181},

pages = {228--234},

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title = {2-Pyrazol-1-yl-thiazole derivatives as novel highly potent antibacterials},

author = {Yan A. Ivanenkov and Renat S. Yamidanov and Ilya A. Osterman and Petr V. Sergiev and Vladimir A. Aladinskiy and Anastasia V. Aladinskaya and Victor A. Terentiev and Mark S. Veselov and Andrey A. Ayginin and Dmitry A. Skvortsov and Katerina S. Komarova and Sergey V. Sadovnikov and Matniyazov Rustam and Alina A. Sofronova and Alexander S. Malyshev and Alexey E. Machulkin and Rostislav A. Petrov and Lukianov Dmitrii and Iarovenko Svetlana and Dmitry S. Bezrukov and Andrey Kh Baymiev and Olga A. Dontsova},

doi = {10.1038/s41429-019-0211-y},

issn = {1881-1469; 0021-8820},

year  = {2019},

date = {2019-01-01},

journal = {Journal of Antibiotics},

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@article{bezrukov2019ab-initio225083189,

title = {Ab Initio Description of the Structure and Interaction Energy of Perhalomethane Dimers},

author = {B. V. Rutskoy and D. S. Bezrukov},

doi = {10.1134/S0036024419080259},

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@article{bezrukov2019ab-initio184131996,

title = {Ab initio interaction potentials of the Ba, Ba+ complexes with Ar, Kr, and Xe in the lowest excited states},

author = {Dmitry S. Bezrukov and Nadezhda N. Kleshchina and Inna S. Kalinina and Alexei A. Buchachenko},

doi = {10.1063/1.5071457},

issn = {1089-7690; 0021-9606},

year  = {2019},

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journal = {Journal of Chemical Physics},

volume = {150},

number = {6},

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@article{bezrukov2019accommodation223274500,

title = {Accommodation of a dimer in an Ar-like lattice: exploring the generic structural motifs},

author = {Georgiy K. Ozerov and Dmitry S. Bezrukov and Alexei A. Buchachenko},

doi = {10.1039/C9CP02119A},

issn = {1463-9084; 1463-9076},

year  = {2019},

date = {2019-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {21},

pages = {16549--16563},

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address = {United Kingdom},

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@article{bezrukov2019computational184132070,

title = {Computational study of the stable atomic trapping sites in Ar lattice},

author = {Georgiy K. Ozerov and Dmitry S. Bezrukov and Alexei A. Buchachenko},

doi = {10.1063/1.5090045},

issn = {1090-6517; 1063-777X},

year  = {2019},

date = {2019-01-01},

journal = {Low Temperature Physics},

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number = {3},

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@article{bezrukov2019empirically225083067,

title = {Empirically Modified Potentials of Interaction between Rare Gases for Matrix Isolation Problems},

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doi = {10.1134/S003602441908003X},

issn = {1531-863X; 0036-0244},

year  = {2019},

date = {2019-01-01},

journal = {Russian Journal of Physical Chemistry A},

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number = {8},

pages = {1505--1512},

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title = {Identification of N-Substituted Triazolo-azetidines as Novel Antibacterials using pDualrep2 HTS Platform},

author = {Yan A. Ivanenkov and Renat S. Yamidanov and Ilya A. Osterman and Petr V. Sergiev and Vladimir A. Aladinskiy and Anastasia V. Aladinskaya and Victor A. Terentiev and Mark S. Veselov and Andrey A. Ayginin and Dmitry A. Skvortsov and Katerina S. Komarova and Alexey V. Chemeris and Alexey Kh Baimiev and Alina A. Sofronova and Alexander S. Malyshev and Alexey E. Machulkin and Rostislav A. Petrov and Dmitry S. Bezrukov and Gleb I. Filkov and Maria M. Puchinina and Liana F. Zainullina and Marina A. Maximova and Zulfiya R. Zileeva and Yulia V. Vakhitova and Olga A. Dontsova},

doi = {10.2174/1386207322666190412165316},

issn = {1875-5402; 1386-2073},

year  = {2019},

date = {2019-01-01},

journal = {Combinatorial Chemistry and High Throughput Screening},

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title = {Identification of Novel Antibacterials Using Machine Learning Techniques},

author = {Yan A. Ivanenkov and Alex Zhavoronkov and Renat S. Yamidanov and Ilya A. Osterman and Petr V. Sergiev and Vladimir A. Aladinskiy and Anastasia V. Aladinskaya and Victor A. Terentiev and Mark S. Veselov and Andrey A. Ayginin and Victor G. Kartsev and Dmitry A. Skvortsov and Alexey V. Chemeris and Alexey Kh Baimiev and Alina A. Sofronova and Alexander S. Malyshev and Gleb I. Filkov and Dmitry S. Bezrukov and Bogdan A. Zagribelnyy and Evgeny O. Putin and Maria M. Puchinina and Olga A. Dontsova},

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journal = {Frontiers in pharmacology},

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title = {Large-scale high-throughput screening revealed 5'-(carbonylamino)-2,3'-bithiophene-4'-carboxylate as novel template for antibacterial agents},

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title = {Stable axially symmetric atomic impurity in an fcc solid-Ba in rare gases},

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title = {Substituted Furanocoumarins as Novel Class of Antibacterial Translation Inhibitors},

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title = {Synthesis and Biological Evaluation of Doxorubicin-containing Conjugate targeting PSMA},

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