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Rigid-Body Molecular Dynamics of Fullerene-Based Nanocars on Metallic Surfaces
Konyukhov, Sergei S, Kupchenko, Ilya V, Moskovsky, Alexander A, Nemukhin, Alexander V, Akimov, Alexey V, Kolomeisky, Anatoly B
Published in Journal of chemical theory and computation (14.09.2010)
Published in Journal of chemical theory and computation (14.09.2010)
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On the Mechanism of Carborane Diffusion on a Hydrated Silica Surface
Kupchenko, Ilya V, Moskovsky, Alexander A, Nemukhin, Alexander V, Kolomeisky, Anatoly B
Published in Journal of physical chemistry. C (13.01.2011)
Published in Journal of physical chemistry. C (13.01.2011)
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Molecular Dynamics of Surface-Moving Thermally Driven Nanocars
Akimov, Alexei V, Nemukhin, Alexander V, Moskovsky, Alexander A, Kolomeisky, Anatoly B, Tour, James M
Published in Journal of chemical theory and computation (01.04.2008)
Published in Journal of chemical theory and computation (01.04.2008)
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Modeling negative ion defect migration through the gramicidin A channel
Nemukhin, Alexander V, Kaliman, Ilya A, Moskovsky, Alexander A
Published in Journal of molecular modeling (01.08.2009)
Published in Journal of molecular modeling (01.08.2009)
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Recent Technology Trends in High-Performance Computing: Quantifying the Divergence of Top and the Rest
Published in Supercomputing frontiers and innovations
(01.03.2025)
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Towards accurate machine learning predictions of properties of the P–O bond cleaving in ATP upon enzymatic hydrolysis
Polyakov, Igor V., Miroshnichenko, Kirill D., Mulashkina, Tatiana I., Moskovsky, Alexander A., Marchenko, Ekaterina I., Khrenova, Maria G.
Published in Mendeleev communications (01.11.2024)
Published in Mendeleev communications (01.11.2024)
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Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers
Mironov, Vladimir, Shchugoreva, Irina A., Artyushenko, Polina V., Morozov, Dmitry, Borbone, Nicola, Oliviero, Giorgia, Zamay, Tatiana N., Moryachkov, Roman V., Kolovskaya, Olga S., Lukyanenko, Kirill A., Song, Yangling, Merkuleva, Iuliia A., Zabluda, Vladimir N., Peters, Georgy, Koroleva, Lyudmila S., Veprintsev, Dmitry V., Glazyrin, Yury E., Volosnikova, Ekaterina A., Belenkaya, Svetlana V., Esina, Tatiana I., Isaeva, Anastasiya A., Nesmeyanova, Valentina S., Shanshin, Daniil V., Berlina, Anna N., Komova, Nadezhda S., Svetlichnyi, Valery A., Silnikov, Vladimir N., Shcherbakov, Dmitriy N., Zamay, Galina S., Zamay, Sergey S., Smolyarova, Tatyana, Tikhonova, Elena P., Chen, Kelvin H. -C., Jeng, U-Ser, Condorelli, Gerolama, de Franciscis, Vittorio, Groenhof, Gerrit, Yang, Chaoyong, Moskovsky, Alexander A., Fedorov, Dmitri G., Tomilin, Felix N., Tan, Weihong, Alexeev, Yuri, Berezovski, Maxim V., Kichkailo, Anna S
Published in Chemistry : a European journal (24.02.2022)
Published in Chemistry : a European journal (24.02.2022)
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Cover Feature: Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers (Chem. Eur. J. 12/2022)
Mironov, Vladimir, Shchugoreva, Irina A., Artyushenko, Polina V., Morozov, Dmitry, Borbone, Nicola, Oliviero, Giorgia, Zamay, Tatiana N., Moryachkov, Roman V., Kolovskaya, Olga S., Lukyanenko, Kirill A., Song, Yanling, Merkuleva, Iuliia A., Zabluda, Vladimir N., Peters, Georgy, Koroleva, Lyudmila S., Veprintsev, Dmitry V., Glazyrin, Yury E., Volosnikova, Ekaterina A., Belenkaya, Svetlana V., Esina, Tatiana I., Isaeva, Anastasiya A., Nesmeyanova, Valentina S., Shanshin, Daniil V., Berlina, Anna N., Komova, Nadezhda S., Svetlichnyi, Valery A., Silnikov, Vladimir N., Shcherbakov, Dmitriy N., Zamay, Galina S., Zamay, Sergey S., Smolyarova, Tatyana, Tikhonova, Elena P., Chen, Kelvin H.‐C., Jeng, U‐Ser, Condorelli, Gerolama, Franciscis, Vittorio, Groenhof, Gerrit, Yang, Chaoyong, Moskovsky, Alexander A., Fedorov, Dmitri G., Tomilin, Felix N., Tan, Weihong, Alexeev, Yuri, Berezovski, Maxim V., Kichkailo, Anna S.
Published in Chemistry : a European journal (24.02.2022)
Published in Chemistry : a European journal (24.02.2022)
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Structure- and Interaction-Based Design of Anti-SARS-CoV-2 Aptamers
Mironov, Vladimir, Shchugoreva, Irina A., Artyushenko, Polina V., Morozov, Dmitry, Borbone, Nicola, Oliviero, Giorgia, Zamay, Tatiana N., Moryachkov, Roman V., Kolovskaya, Olga S., Lukyanenko, Kirill A., Song, Yanling, Merkuleva, Iuliia A., Zabluda, Vladimir N., Peters, Georgy, Koroleva, Lyudmila S., Veprintsev, Dmitry V., Glazyrin, Yury E., Volosnikova, Ekaterina A., Belenkaya, Svetlana V., Esina, Tatiana I., Isaeva, Anastasiya A., Nesmeyanova, Valentina S., Shanshin, Daniil V., Berlina, Anna N., Komova, Nadezhda S., Svetlichnyi, Valery A., Silnikov, Vladimir N., Shcherbakov, Dmitriy N., Zamay, Galina S., Zamay, Sergey S., Smolyarova, Tatyana, Tikhonova, Elena P., Chen, Kelvin H.‐C., Jeng, U‐Ser, Condorelli, Gerolama, Franciscis, Vittorio, Groenhof, Gerrit, Yang, Chaoyong, Moskovsky, Alexander A., Fedorov, Dmitri G., Tomilin, Felix N., Tan, Weihong, Alexeev, Yuri, Berezovski, Maxim V., Kichkailo, Anna S.
Published in Chemistry : a European journal (09.02.2022)
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Published in Chemistry : a European journal (09.02.2022)
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Towards quantum-based modeling of enzymatic reaction pathways: Application to the acetylholinesterase catalysis
Polyakov, Igor V., Grigorenko, Bella L., Moskovsky, Alexander A., Pentkovski, Vladimir M., Nemukhin, Alexander V.
Published in Chemical physics letters (29.01.2013)
Published in Chemical physics letters (29.01.2013)
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Server Level Liquid Cooling: Do Higher System Temperatures Improve Energy Efficiency?
Published in Supercomputing frontiers and innovations
(01.06.2016)
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Multi-Scale Supercomputing of Large Molecular Aggregates: A Case Study of the Light-Harvesting Photosynthetic Center
Published in Supercomputing frontiers and innovations
(01.04.2016)
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Multicore Platform Efficiency Across Remote Sensing Applications
Published in Supercomputing frontiers and innovations
(01.12.2018)
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