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Vol 16, No 2 (2025) 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 Abstract  PDF (Eng)  similar documents
I. A. Baigunov, Kh. T. Kholmurodov, P. P. Gladyshev
"... In this work, computer molecular dynamics (MD) studies of the orientation and structural ..."
 
Vol 2, No 2 (2011) Simulation of structural transformations in copper nanoparticles under collision Abstract  PDF (Eng)  similar documents
A. Yu. Smolin, N. V. Roman, K. P. Zolnikov, S. G. Psakhie, V. K. Kedrinskii
"... performed by molecular dynamics method. The inter-atomic interaction was described within the embedded atom ..."
 
Vol 2, No 2 (2011) Molecular-dynamic investigation of contact interaction of pure metals Abstract  PDF (Eng)  similar documents
A. Yu. Nikonov, A. I. Dmitriev, S. G. Psakhie
"... In using the method of molecular dynamics simulation of contact interaction between the copper ..."
 
Vol 2, No 2 (2011) Molecular dynamics investigation of deformation response of thin-film metallic nanostructures under heating Abstract  PDF (Eng)  similar documents
I. S. Konovalenko, K. P. Zolnikov, S. G. Psakhie
"... Molecular dynamics simulation of nanostructure behavior under impulse heating is carried out ..."
 
Vol 2, No 4 (2011) Simulation of flows in nanochannels by the molecular dynamics method Abstract  similar documents
V. Ya. Rudyak, A. A. Belkin, V. V. Egorov, D. A. Ivanov
"... On the basis of molecular dynamics method the algorithm for the first time enables to simulate ..."
 
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