PHYSICS

Alcohol dehydrogenase: molecular dynamics study of conformational and orientational behaviour of the enzyme in complex with NAD during sorption on the surface of electrode materials using graphite as an example

Ivan A. Baigunov^a, Kholmirzo T. Kholmurodov^abcd, Pavel P. Gladyshev<sup>a

a</sup> Dubna State University, Department of Chemistry, New Technologies and Materials, Dubna, Russia
^b Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna, Russia
^c Lomonosov Moscow State University, Department of Fundamental Nuclear Interactions, Moscow, Russia
^d S.U. Umarov Physical-Technical Institute (PhTI), Dushanbe, Republic of Tajikistan

Аннотация: In this work, computer molecular dynamics (MD) studies of the orientation and structural conformations of the alcohol dehydrogenase enzyme (hereinafter ADH) in complex with nicotine adenine dinucleotide (hereinafter NAD) during sorption on the surface of electrode materials using graphite as an example were carried out.

Ключевые слова: alcohol dehydrogenase, molecular dynamics.

Поступила в редакцию: 21.01.2025
Исправленный вариант: 19.02.2025
Принята в печать: 20.02.2025

Язык публикации: английский

DOI: 10.17586/2220-8054-2025-16-2-192-198