Candidate of science in physics and mathematics

Scientific supervisor

Anton Chugunov

Main place of work:

Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry

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Professional interests/research projects:

Computer modeling of the structure of biological molecules - proteins, nucleic acids, biological membranes. The focus of research is on membrane receptors and ion channels. The main research methods are homology-based modeling, molecular dynamics, docking, and structural analysis.
Main publications:
1.Panina I, Krylov N, Nolde D, Efremov R, Chugunov A. Environmental and dynamic effects explain how nisin captures membrane-bound lipid II. Sci Rep. 2020 Jun 1;10(1):8821. doi: 10.1038/s41598-020-65522-y. PMID: 32483218; PMCID: PMC7264305.

2.Chugunov AO, Volynsky PE, Krylov NA, Nolde DE, Efremov RG. Temperature-sensitive gating of TRPV1 channel as probed by atomistic simulations of its trans- and juxtamembrane domains. Sci Rep. 2016 Sep 9;6:33112. doi: 10.1038/srep33112. PMID: 27612191; PMCID: PMC5017144.

3.Kasheverov IE, Chugunov AO, Kudryavtsev DS, Ivanov IA, Zhmak MN, Shelukhina IV, Spirova EN, Tabakmakher VM, Zelepuga EA, Efremov RG, Tsetlin VI. High-Affinity α-Conotoxin PnIA Analogs Designed on the Basis of the Protein Surface Topography Method. Sci Rep. 2016 Nov 14;6:36848. doi: 10.1038/srep36848. PMID: 27841338; PMCID: PMC5107951.

4.Chugunov AO, Volynsky PE, Krylov NA, Boldyrev IA, Efremov RG. Liquid but durable: molecular dynamics simulations explain the unique properties of archaeal-like membranes. Sci Rep. 2014 Dec 12;4:7462. doi: 10.1038/srep07462. PMID: 25501042; PMCID: PMC4264030.

5.Koromyslova AD, Chugunov AO, Efremov RG. Deciphering fine molecular details of proteins' structure and function with a Protein Surface Topography (PST) method. J Chem Inf Model. 2014 Apr 28;54(4):1189-99. doi: 10.1021/ci500158y. Epub 2014 Apr 14. PMID: 24689707.

6.Chugunov AO, Koromyslova AD, Berkut AA, Peigneur S, Tytgat J, Polyansky AA, Pentkovsky VM, Vassilevski AA, Grishin EV, Efremov RG. Modular organization of α-toxins from scorpion venom mirrors domain structure of their targets, sodium channels. J Biol Chem. 2013 Jun 28;288(26):19014-27. doi: 10.1074/jbc.M112.431650. Epub 2013 May 1. PMID: 23637230; PMCID: PMC3696675.

7.Tabakmakher VM, Gigolaev AM, Peigneur S, Krylov NA, Tytgat J, Chugunov AO, Vassilevski AA, Efremov RG. Potassium channel blocker crafted by α-hairpinin scaffold engineering. Biophys J. 2021 Jun 15;120(12):2471-2481. doi: 10.1016/j.bpj.2021.04.020. Epub 2021 Apr 29. PMID: 33932436; PMCID: PMC8390879.
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