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UDC 004.05, 51-76, 57.087
O. Letychevskyi1, V. Volkov2, Yu. Tarasich3, G. Sokolova4, V. Peschanenko5


1 V.M. Glushkov Institute of Cybernetics, National
Academy of Sciences of Ukraine, Kyiv, Ukraine

 oleksandr.letychevskyi@litsoft.com.ua

2 V.M. Glushkov Institute of Cybernetics, National
Academy of Sciences of Ukraine, Kyiv, Ukraine

 vlad_volkov_98@yahoo.com

3 Kherson State University, Kherson, Ukraine

 yutarasich@gmail.com

4 Kherson State University, Kherson, Ukraine

 annetsokolova96@gmail.com

5 Kherson State University, Kherson, Ukraine

 oleksandr.letychevskyi@litsoft.com.ua

MODERN METHODS AND SOFTWARE SYSTEMS OF MOLECULAR MODELING
AND APPLICATION OF BEHAVIOR ALGEBRA

Abstract. The main methods of molecular modeling and specialized software for the development and analysis of molecular models are considered. In particular, the article describes the results of the first stage of developing an environment for the analysis of the molecular and biomolecular interaction that is based on the formalism of behavior algebra and insertion modeling. The results of the experiment of applying the proposed approach to modeling the covalent nonpolar bond are given.

Keywords: symbolic modeling, algebraic behavior, molecular modeling.


FULL TEXT

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