Laboratory of Parallel Computing and Information Technology
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Igor A. Shaikin
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Andrej A. Khodaev
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Vladislav Yu. Yavorsky
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THE MAIN DIRECTIONS OF RESEARCH AND DEVELOPMENT
The laboratory works since 2009. The scientific goals of the labs are an implementation of 3D molecular modeling methods to prediction of the structure and properties of biological important substances, a supramolecular systems modeling and software development in most interest of the solution of complex tasks including parallel calculations and analysis of the big data. The another duty of the lab is the support of computer equipment and network of institute.
Zavialova M., Kamaeva D., Kazieva L., Skvortsov V.S., Smirnova L. (2023) Some structural features of the peptide profile of myelin basic protein-hydrolyzing antibodies in schizophrenic patients, PeerJ, 11, e15584. DOI:10.7717/peerj.15584
Ivanova Ya.O., Skvortsov V.S. (2023) The prediction of main protease SARS-CoV-2 inhibition based on models of enzyme-inhibitor complexes, Biomeditsinskaya Khimiya, 69(5), 322-327. DOI:10.18097/PBMC20236905322
Skvortsov V.S., Ivanova Y.O., Voronina A.I. (2022) Acetylation, methylation, and ubiquitination of proteins in experimental ischemic stroke in mice: a bioinformatics analysis, Biomeditsinskaya Khimiya, 68(5), 390-397. DOI:10.18097/PBMC20226805390
Ivanova Ya.O., Voronina A.I., Skvortsov V.S. (2022) The prediction of SARS-CoV-2 main protease inhibition with filtering by position of ligand, Biomeditsinskaya Khimiya, 68(6), 444-458. DOI:10.18097/PBMC20226806444
Mikurova A.V., Rybina A.V., Skvortsov V.S. (2021) Prediction of the Inhibition of Influenza Virus Neuraminidase Various Strains by Means of a Generalized Model Constructed Using the Data on the Position of Known Ligands, Biochemistry (Moscow) Supplement Series B: Biomedical Chemistry, 15(2), 166-170. DOI:10.1134/S1990750821020086
Skvortsov V.S., Ivanova Ya.O., Voronina A.I. (2021) The bioinformatic identification of proteins with varying levels of post-translational modifications in experimental ischemic stroke in mice, Biomeditsinskaya Khimiya, 67(6), 475-484. DOI:10.18097/PBMC20216706475
Savosina P., Karasev D., Veselovsky A., Miroshnichenko Yu., Sobolev B. (2020) Functional and structural features of proteins associated with alternative splicing, International Journal of Biological Macromolecules, 147, 513-520. DOI:10.1016/j.ijbiomac.2019.09.241
Mikurova A.V., Skvortsov V.S. (2020) The Model for Prediction of Inhibition of Influenza A and B Neuraminidases Based on a Reduced Set of Energy Terms, Biochemistry (Moscow) Supplement Series B: Biomedical Chemistry, 14(2), 186-191. DOI:10.1134/S1990750820020092
Mikurova A.V., Rybina A.V., Skvortsov V.S. (2020) Prediction of inhibition of influenza virus neuraminidase of various strains by using a generalized model constructed using the data on the position of known ligands, Biomeditsinskaya Khimiya, 66(6), 508-513. DOI:10.18097/PBMC20206606508
Mikurova A.V., Skvortsov V.S. (2019) The model of prediction of the inhibition of neuraminidases of influenza A and B based on a reduced set of energy terms, Biomeditsinskaya Khimiya, 65(6), 520-525. DOI:10.18097/PBMC20196506520