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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 12, No 5 (2021) Modeling the evolution of surface nanobubbles Abstract  PDF (Eng)  similar documents
I. A. Nesterenko, I. Y. Popov
 
Vol 12, No 3 (2021) The F-index and coindex of V-Phenylenic Nanotubes and Nanotorus and their molecular complement graphs Abstract  PDF (Eng)  similar documents
M. S.Y. Alsharafi, A. Q. Alameri
"... which often appear in drug molecular graphs. In this paper, we studied the F-index and F-coindex ..."
 
Vol 14, No 6 (2023) Molecular dynamics simulation of the rearrangement of polyampholyte conformations on the surface of a charged oblate metal nanospheroid in a microwave electric field Abstract  PDF (Eng)  similar documents
N. Yu. Kruchinin
"... Using molecular dynamics, the rearrangement of the conformational structure of polyampholytes ..."
 
Vol 14, No 2 (2023) Study of ion partitioning in nanoporous materials by analytical approach and molecular modeling Abstract  PDF (Eng)  similar documents
J. Dweik, M. Koabazb
"... such as Monte Carlo (GCMC) and classical molecular dynamics (MD). These techniques are used to study ..."
 
Vol 14, No 2 (2023) Modeling the rarefied gas thermal conductivity in nanochannels Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, E. V. Lezhnev
"... was calculated by the method of the stochastic molecular modelling. It was established that the thermal ..."
 
Vol 15, No 1 (2024) Molecular dynamics study of nanofluids viscosity with carbon tubes Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, S. L. Krasnolutskii, E. V. Lezhnev
"... The purpose of this paper is molecular dynamics simulation of viscosity of benzene-based ..."
 
Vol 12, No 5 (2021) Energy relaxation in molecular systems containing salt ions Abstract  PDF (Eng)  similar documents
M. A. Baranov, E. N. Velichko, E. K. Nepomnyashchaya, I. V. Pleshakov
"... In this paper, we consider relaxation processes in molecular systems containing single biomolecule ..."
 
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 ..."
 
Vol 11, No 3 (2020) Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions Abstract  PDF (Eng)  similar documents
V. Ya. Rudyak, E. V. Lezhnev
"... The subject of this paper is the stochastic molecular modelling of the transport coefficients ..."
 
Vol 15, No 4 (2024) Composite sorbent based on Fe3O4 with Fe(N2H4)xCly for the removal of Chromium(VI) from wastewater. Abstract  PDF (Eng)  similar documents
D. P. Ordinartsev, N. V. Pechishcheva, S. Kh. Estemirova, A. V. Kim, E. V. Sterkhov, S. A. Petrova, G. A. Shilenko
"... The paper presents a methodology for the synthesis of iron complex with hydrazine hydrate Fe(N2H4 ..."
 
Vol 15, No 4 (2024) Kinetic of colloidal-chemical transformations during the decomposition of ammonia complexes of Zn(II) in alkaline solutions. Abstract  PDF (Eng)  similar documents
M. A. Maksimova, E. V. Polyakov, I. V. Volkov, A. P. Tyutyunnik, A. A. Ioshin
"... in the concentration of in the composition of the ammonia complex Zn(NH3)2+ 4 in solution, colloidal particles Zn(OH)2 ..."
 
Vol 14, No 5 (2023) Synthesis of lanthanum manganite powders via combustion reactions: some aspects of the influence of magnetic field and charge generation in precursors on the formation of properties Abstract  PDF (Eng)  similar documents
A. A. Ostroushko, I D. Gagarin, E. V. Kudyukov, T. Yu. Zhulanova, A. E. Permyakova, O. V. Russkikh
"... formation process of extended ensembles of nanoparticles and the functional properties of complex oxide ..."
 
Vol 13, No 3 (2022) Influence of dissipative tunneling on the photodielectric effect associated with the excitation of impurity complexes A+ + e in a quasi-zero-dimensional structure Abstract  PDF (Eng)  similar documents
V. D. Krevchik, A. V. Razumov, M. B. Semenov, A. V. Levashov, A. V. Shorokhov
"... Effect of tunneling decay for the quasi-stationary A+-state, in an impurity complex A+ + e (a hole ..."
 
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