Zobrazeno 1 - 10
of 2 319
pro vyhledávání: '"Popov, A. I."'
Structure-based virtual screening (SBVS) is a key workflow in computational drug discovery. SBVS models are assessed by measuring the enrichment of known active molecules over decoys in retrospective screens. However, the standard formula for enrichm
Externí odkaz:
http://arxiv.org/abs/2403.10478
Autor:
Kirchoff, Kathryn E., Wellnitz, James, Hochuli, Joshua E., Maxfield, Travis, Popov, Konstantin I., Gomez, Shawn, Tropsha, Alexander
Nearest neighbor-based similarity searching is a common task in chemistry, with notable use cases in drug discovery. Yet, some of the most commonly used approaches for this task still leverage a brute-force approach. In practice this can be computati
Externí odkaz:
http://arxiv.org/abs/2402.07970
Autor:
Maxfield, Travis, Hochuli, Joshua, Wellnitz, James, Melo-Filho, Cleber, Popov, Konstantin I., Muratov, Eugene, Tropsha, Alex
Modeling the properties of chemical mixtures is a difficult but important part of any modeling process intended to be applicable to the often messy and impure phenomena of everyday life, including food and environmental safety, healthcare, etc. Part
Externí odkaz:
http://arxiv.org/abs/2308.06347
Publikováno v:
Solar-Terrestrial Physics, Vol 10, Iss 3, Pp 97-107 (2024)
Using phase delays at spaced stations and satellite observations in the magnetosphere during two events, we have studied azimuthal propagation of resonant bursts of geomagnetic pulsations in the Pc5 range. We have also examined propagation of equival
Externí odkaz:
https://doaj.org/article/7cd99de07f4c4567adc1f6b7aeb98f74
Molecular docking aims to predict the 3D pose of a small molecule in a protein binding site. Traditional docking methods predict ligand poses by minimizing a physics-inspired scoring function. Recently, a diffusion model has been proposed that iterat
Externí odkaz:
http://arxiv.org/abs/2307.12090
Autor:
Toksumakov, Adilet N., Ermolaev, Georgy A., Slavich, Alexander S., Doroshina, Natalia V., Sukhanova, Ekaterina V., Yakubovsky, Dmitry I., Novikov, Sergey M., Oreshonkov, Alexander S., Tsymbarenko, Dmitry M., Popov, Zakhar I., Kvashnin, Dmitry G., Vyshnevyy, Andrey A., Arsenin, Aleksey V., Ghazaryan, Davit A., Volkov, Valentyn S.
Publikováno v:
npj 2D Materials and Applications volume 6, Article number: 85 (2022)
The growing families of two-dimensional crystals derived from naturally occurring van der Waals materials offer an unprecedented platform to investigate elusive physical phenomena and could be of use in a diverse range of devices. Of particular inter
Externí odkaz:
http://arxiv.org/abs/2205.02715
Autor:
Попов, А. И., Popov, A. I.
The increase in demand for passenger transportation, the change in the qualitative characteristics of demand and consumer behavior patterns, as well as the involvement innovative, digital and knowledge-intensive technologies makes it necessary to rad
Externí odkaz:
http://elar.urfu.ru/handle/10995/105605
Autor:
Tsybuliak, Natalia, Lopatina, Hanna, Shevchenko, Liudmyla, Popova, Anastasia, Kovachov, Sergii, Suchikova, Yana, Popov, Anatoli I.
Publikováno v:
In Regional Science Policy & Practice September 2024 16(9)
Autor:
Kadyrzhanov, Kayrat K., Kozlovskiy, Artem A., Konuhova, Marina, Popov, Anatoli I., Shlimas, Dmitriy D., Borgekov, Daryn B.
Publikováno v:
In Optical Materials August 2024 154
Autor:
Milenković, Katarina, Zeković, Ivana, Milićević, Bojana, Ristić, Zoran, Smits, Krisjanis, Popov, Anatoli I., Dramićanin, Miroslav D., Đorđević, Vesna
Publikováno v:
In Ceramics International 1 August 2024 50(15):26663-26669