A. A. Tulenev, V. I. Timofeev, A. A. Chernyavsky, A. S. Ivanovsky, Yu. V. Kordonskaya, Yu. V. Pisarevsky, Yu. A. Dyakova
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引用次数: 0
Abstract
A vaccine prototype against dengue virus was designed based on the analysis of the outer-membrane domains of the dengue virus capsid protein. In order to predict the epitope structures, the three-dimensional structures of the domains were modeled using the AlphaFold2 artificial intelligence system. The retention of the structural stability of all studied subdomains was demonstrated by molecular dynamics simulations of vaccine candidates using the Gromacs-2023 program package. The ability of the vaccine candidate to induce a pronounced primary cell immune response and a stable secondary immune response was predicted with the C-IMMSIMM server.
期刊介绍:
Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.