Investigation of intermolecular interactions in the amino acid chains of the tumor necrosis factor receptor (TNFb)

Abstract

During the work, the degree of complex formation between amino acid molecules within the tumor necrosis factor chain was calculated. The calculations were performed using density functional theory (DFT) with the B3LYP functional and the 6-31G(d) basis set, employing the Gaussian software package. The degree of complex formation was evaluated based on the parameters of the formed hydrogen bonds, which are one of the primary indicators of intermolecular interaction.

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Egor V. Nazarev
Saratov State Technical Univercity
Russia

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