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
https://doi.org/10.17586/2220-8054-2025-16-2-192-198
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.
About the Authors
I. A. Baigunov
Dubna State University, Department of Chemistry, New Technologies and Materials
Russian Federation
Russian Federation
Ivan A. Baigunov
Universitetskaya, 19, Dubna, Moscow Region, 141980
Kh. T. Kholmurodov
Dubna State University, Department of Chemistry, New Technologies and Materials; Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research; Lomonosov Moscow State University, Department of Fundamental Nuclear Interactions; S. U. Umarov Physical-Technical Institute (PhTI)
Russian Federation
Russian Federation
Kholmirzo T. Kholmurodov
Universitetskaya, 19, Dubna, Moscow Region, 141980
Joliot-Curie, 6, Dubna, Moscow Region, 141980
Leninskiye Gory, GSP-1, Moscow, 119991
Aini ave., 299/1, Dushanbe, 734063
P. P. Gladyshev
Dubna State University, Department of Chemistry, New Technologies and Materials
Russian Federation
Russian Federation
Pavel P. Gladyshev
Universitetskaya, 19, Dubna, Moscow Region, 141980
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Review
For citations:
Baigunov I.A., Kholmurodov Kh.T., Gladyshev P.P. 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;16(2):192-198. https://doi.org/10.17586/2220-8054-2025-16-2-192-198
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