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

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...

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Bibliographic Details
Published in:Cybernetics and systems analysis 2022-05, Vol.58 (3), p.454-464
Main Authors: Letychevskyi, O., Volkov, V., Tarasich, Yu, Sokolova, G., Peschanenko, V.
Format: Article
Language:English
Subjects:
Algebra
Artificial Intelligence
Computer simulation
Computer-generated environments
Control
Machine learning
Mathematics
Mathematics and Statistics
Methods
Modelling
Processor Architectures
Sofrware–Hardware Systems
Software
Software Engineering/Programming and Operating Systems
Systems Theory
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Summary: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.
ISSN:1060-0396
1573-8337
DOI:10.1007/s10559-022-00482-x