Computer 3D modeling bioorganic compounds: How the amino acids can be created?

Autor: Maslyuk, V., Zavilopulo, A., Hanulych, V., Svatyuk, N., Pop, O., Simkanich, O.
Předmět:
Zdroj: AIP Conference Proceedings; 2023, Vol. 2872 Issue 1, p1-9, 9p
Abstrakt: A new statistical approach is proposed, which allows modeling the stages of the creation of bioorganic molecules. Its basis is color statistics, which considers the non-equivalence of atoms with different bond energies in the structure of a biomolecule. The calculation was carried out on the example of amino acids within the Ball and Stick model; estimated energy and entropy parameters of biomolecular structures forming during their creation. The concepts of color sets of atoms are introduced, which determine the nature of the structural arrangement of their molecules and the configurational entropy. Data on the information capacity of amino acids, essential for understanding their role in biota, are presented for the first time. The possibilities of 3D computer simulation of structural transformations of amino acids based on the Unity platform are demonstrated. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index