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Modern Methods and Software Systems of Molecular Modeling and Application of Behavior Algebra

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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.

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Authors and Affiliations

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

    O. Letychevskyi & V. Volkov

  2. Kherson State University, Kherson, Ukraine

    Yu. Tarasich, G. Sokolova & V. Peschanenko

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  1. O. Letychevskyi
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  2. V. Volkov
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  4. G. Sokolova
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  5. V. Peschanenko
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Correspondence to O. Letychevskyi.

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Translated from Kibernetyka ta Systemnyi Analiz, No. 3, May–June, 2022, pp. 150–163.

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Letychevskyi, O., Volkov, V., Tarasich, Y. et al. Modern Methods and Software Systems of Molecular Modeling and Application of Behavior Algebra. Cybern Syst Anal 58, 454–464 (2022). https://doi.org/10.1007/s10559-022-00482-x

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