Ivan A. Baigunov, Kholmirzo T. Kholmurodov, Pavel P. Gladyshev, “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”, Nanosystems: Physics, Chemistry, Mathematics, 2025, Volume 16, Issue 2,Pages <nobr>192

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^a

^a 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

Abstract: 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.

Keywords: alcohol dehydrogenase, molecular dynamics.

Received: 21.01.2025
Revised: 19.02.2025
Accepted: 20.02.2025

Language: English

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