National Academy of Sciences of Belarus

Anna Karpenko

KARPENKO Anna

Karpenko Anna Dmitrievna (27.02.1993, Minsk), radiophysicist.

Scientific work on molecular modeling of potential drugs. Using molecular modeling methods, it evaluates the neutralizing activity of identified molecules. Combining modern computer modeling with generative machine learning models allows to create compounds with the desired properties and drastically reduce the number of compounds for synthesis and testing. The work is related to the creation of drugs against coronavirus SARS-CoV-2 and HIV-1.

The work in 2020 is included in the TOP-10 results of scientists of NASB.

The main works:

  1. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease / A. M. Andrianov [et al.]. // J. of Biomolecular Structure a. Dynamics. – 2020. doi: 10.1080/07391102.2020.1792989.
  2. Идентификация потенциальных ингибиторов коронавируса SARS-CoV-2 методами виртуального скрининга и молекулярного моделирования / А.М. Андрианов [и др.] // Доклады НАН Беларуси. – 2020. – Т. 64, №3. – С. 308–316.
  3. In Silico-Guided Discovery of Potential HIV-1 Entry Inhibitors Mimicking bNAb N6: Virtual Screening, Docking, Molecular Dynamics and Post-Molecular Modeling Analysis/ A.M. Andrianov [et al.]. // Bioinformatics Research and Applications – 2020. P. 243-250.
  4. Андрианов, А.М. Компьютерное моделирование потенциальных ингибиторов ВИЧ-1 на основе нейтрализующего антитела N6/ А.М. Андрианов, Г.И. Николаев, Ю.В. Корноушенко, А.Д. Карпенко, А.В. Тузиков// «Компьютерные технологии и анализ данных» (CTDA’2020):II междунар. науч. практ. конф., Минск, 23 – 24апреля 2020. С. 135 – 138.