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Alcohol Dehydrogenase: Molecular Dynamic Study of Conformational and Orientational Behavior of the Enzyme in Complex With Nad During Sorption on the Surface of Electrode Materials Using Graphite as an Example

Year: 2025

Type: article

Abstract: In this paper, computer molecular dynamics (MD) studies of the orientation and structural conformations of the alcohol dehydrogenase enzyme (hereinafter ADH) in a complex with nicotine adenine dinucleotide (hereinafter NAD) during sorption on the surface of electrode materials using graphite as an example were carried out. During long-term MD simulations, both the orientation dynamics of the enzyme were studied and the behavior of the NAD coenzyme and titratable amino acids was revealed. The article also describes the construction of a model of the above system

Source: Bulletin of the Saint Petersburg State Institute of Technology (Technical University)

DOI: 10.36807/1998-9849-2025-72-97-7-11

Authors: Ivan A. Baigunov, Kholmirzo T. Kholmurodov, Pavel P. Gladyshev

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: diamond

OpenAlex ID: W4409234977

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