Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs? von Pokhilko, Pavel, Bezrukov, Dmitry S, Krylov, Anna I

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Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission von Jones, Jeremy C, Zagribelnyy, Bogdan, Pascua, Philippe Noriel Q, Bezrukov, Dmitry S, Barman, Subrata, Okda, Faten, Webby, Richard J, Ivanenkov, Yan A, Govorkova, Elena A

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Trapping and thermal migration of the first- and second-row atoms in Ar, Kr and Xe crystals von Leibin, Iosif V, Bezrukov, Dmitry S, Buchachenko, Alexei A

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Erratum: “Reaction rate constant for radiative association of CF+” [J. Chem. Phys. 144, 044302 (2016)] von Öström, Jonatan, Bezrukov, Dmitry S., Nyman, Gunnar, Gustafsson, Magnus

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Modeling of the thermal migration mechanisms of atomic oxygen in Ar, Kr, and Xe crystals von Leibin, Iosif V., Kalinina, Inna S., Bezrukov, Dmitry S., Buchachenko, Alexei A.

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Accommodation of a dimer in an Ar-like lattice: exploring the generic structural motifs von Ozerov, Georgiy K, Bezrukov, Dmitry S, Buchachenko, Alexei A

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Ab initio interaction potentials of the Ba, Ba+ complexes with Ar, Kr, and Xe in the lowest excited states von Bezrukov, Dmitry S., Kleshchina, Nadezhda N., Kalinina, Inna S., Buchachenko, Alexei A.

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Molecular dynamics simulations of the Ba+ ion mobility in liquid xenon von Ozerov, Georgiy K., Bezrukov, Dmitry S., Buchachenko, Alexei A.

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Modeling of Manganese Atom and Dimer Isolated in Solid Rare Gases: Structure, Stability, and Effect on Spin Coupling von Kleshchina, Nadezhda N, Korchagina, Kseniia A, Bezrukov, Dmitry S, Buchachenko, Alexei A

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Reaction rate constant for radiative association of CF von Öström, Jonatan, Bezrukov, Dmitry S., Nyman, Gunnar, Gustafsson, Magnus

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Synthesis and biological evaluation of Doxorubicin-containing conjugate targeting PSMA von Ivanenkov, Yan A., Machulkin, Alexey E., Garanina, Anastasia S., Skvortsov, Dmitry A., Uspenskaya, Anastasia A., Deyneka, Ekaterina V., Trofimenko, Alexander V., Beloglazkina, Elena K., Zyk, Nikolay V., Koteliansky, Victor E, Bezrukov, Dmitry S., Aladinskaya, Anastasia V., Vorobyeva, Nataliya S., Puchinina, Maria M., Riabykh, Grigory K., Sofronova, Alina A., Malyshev, Alexander S., Majouga, Alexander G.

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Antibacterial activity of noscapine analogs von Ivanenkov, Yan A., Yu. Filyaeva, Kseniya, Matniyazov, Rustam T., Baymiev, Andrey Kh, Baymiev, Alexey Kh, Vladimirova, Anastasiya A., Yamidanov, Renat S., Mavzyutov, Ayrat R., Zileeva, Zulfia R., Zainullina, Liana F., Vakhitova, Julia V., Marina, Valeriya I., Terentiev, Victor A., Osterman, Ilya A., Kartsev, Victor G., Bezrukov, Dmitry S., Dontsova, Olga A.

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Identification of Novel Antibacterials Using Machine Learning Techniques von Ivanenkov, Yan A, Zhavoronkov, Alex, Yamidanov, Renat S, Osterman, Ilya A, Sergiev, Petr V, Aladinskiy, Vladimir A, Aladinskaya, Anastasia V, Terentiev, Victor A, Veselov, Mark S, Ayginin, Andrey A, Kartsev, Victor G, Skvortsov, Dmitry A, Chemeris, Alexey V, Baimiev, Alexey Kh, Sofronova, Alina A, Malyshev, Alexander S, Filkov, Gleb I, Bezrukov, Dmitry S, Zagribelnyy, Bogdan A, Putin, Evgeny O, Puchinina, Maria M, Dontsova, Olga A

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Generic accommodations of an atom in the Lennard-Jones fcc and hcp rare-gas solids: A computational study von Ozerov, Georgiy K., Bezrukov, Dmitry S., Buchachenko, Alexei A.

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Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study von Evteev, Sergei, Ivanenkov, Yan, Semenov, Ivan, Malkov, Maxim, Mazaleva, Olga, Bodunov, Artem, Bezrukov, Dmitry, Sidorenko, Denis, Terentiev, Victor, Malyshev, Alex, Zagribelnyy, Bogdan, Korzhenevskaya, Anastasia, Aliper, Alex, Zhavoronkov, Alex

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Synthesis, isomerization and biological activity of novel 2-selenohydantoin derivatives von Ivanenkov, Yan A., Veselov, Mark S., Rezekin, Igor G., Skvortsov, Dmitriy A., Sandulenko, Yuri B., Polyakova, Marina V., Bezrukov, Dmitry S., Vasilevsky, Sergey V., Kukushkin, Maxim E., Moiseeva, Anna A., Finko, Alexander V., Koteliansky, Victor E., Klyachko, Natalia L., Filatova, Lubov A., Beloglazkina, Elena K., Zyk, Nikolay V., Majouga, Alexander G.

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Corrigendum to ‘Synthesis and biological evaluation of Doxorubicin-containing conjugate targeting PSMA’ [Bioor. Med. Chem. Lett. 29/10 (2019) 1246–1255] von Ivanenkov, Yan A., Machulkin, Alexey E., Garanina, Anastasia S., Skvortsov, Dmitry A., Uspenskaya, Anastasia A., Deyneka, Ekaterina V., Trofimenko, Alexander V., Beloglazkina, Elena K., Zyk, Nikolay V., Koteliansky, Victor E., Bezrukov, Dmitry S., Aladinskaya, Anastasia V., Vorobyeva, Nataliya S., Puchinina, Maria M., Ryabykh, Grigory K., Sofronova, Alina A., Malyshev, Alexander S., Majouga, Alexander G.

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2-Pyrazol-1-yl-thiazole derivatives as novel highly potent antibacterials von Ivanenkov, Yan A., Yamidanov, Renat S., Osterman, Ilya A., Sergiev, Petr V., Aladinskiy, Vladimir A., Aladinskaya, Anastasia V., Terentiev, Victor A., Veselov, Mark S., Ayginin, Andrey A., Skvortsov, Dmitry A., Komarova, Katerina S., Sadovnikov, Sergey V., Matniyazov, Rustam, Sofronova, Alina A., Malyshev, Alexander S., Machulkin, Alexey E., Petrov, Rostislav A., Lukianov, Dmitrii, Iarovenko, Svetlana, Bezrukov, Dmitry S., Baymiev, Andrey Kh, Dontsova, Olga A.

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Formation of the SiP Radical through Radiative Association von Golubev, Nikolay V., Bezrukov, Dmitry S., Gustafsson, Magnus, Nyman, Gunnar, Antipov, Sergey V.

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Identification of pyrrolo-pyridine derivatives as novel class of antibacterials von Veselov, Mark S., Ivanenkov, Yan A., Yamidanov, Renat S., Osterman, Ilya A., Sergiev, Petr V., Aladinskiy, Vladimir A., Aladinskaya, Anastasia V., Terentiev, Victor A., Ayginin, Andrey A., Skvortsov, Dmitry A., Komarova, Katerina S., Chemeris, Alexey V., Baimiev, Alexey Kh, Sofronova, Alina A., Machulkin, Alexey E., Petrov, Rostislav A., Maklakova, Svetlana Yu, Bezrukov, Dmitry S., Filkov, Gleb I., Zainullina, Liana F., Maximova, Marina A., Zileeva, Zulfiya R., Kartsev, Victor G., Vakhitova, Yulia V., Dontsova, Olga A.

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