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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 3 (2011) The features of structure transformation caused by nano-burnishing process Abstract  PDF (Eng)  similar documents
A. I. Dmitriev, A. Yu. Nikonov, V. P. Kuznetsov
"... In the paper the method of molecular dynamics is used to investigate the features of structure ..."
 
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 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 13, No 3 (2022) Assessment of structural changes in proteins and surrounding water molecules in solution according to SAXS and MD data Abstract  PDF (Eng)  similar documents
A. V. Smirnov, A. M. Semenov, Yu. B. Porozov, B. A. Fedorov
"... The SASPAR program for calculation of SAXS of proteins in solution uses trajectories of molecular ..."
 
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