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| Issue | Title | |
| 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 10, No 4 (2019) | Investigation of physicochemical properties and radiation resistance of fullerene and endohedral metallofullerene derivatives under the ionizing radiation influence | Abstract PDF (Eng) similar documents |
| M. V. Suyasova, A. A. Borisenkova, V. A. Shilin, V. P. Sedov, D. N. Orlova | ||
| "... ), derivatives C60(OH)(30) and Me@C2n(OH)30−40 (Me = Sm, Eu, Gd, Tb, Ho, Fe, Co), and complexes ..." | ||
| Vol 12, No 6 (2021) | Temperature dependence of recombination radiation in semiconductor nanostructures with quantum dots containing impurity complexes | Abstract PDF (Eng) similar documents |
| V. D. Krevchik, A. V. Razumov, M. B. Semenov, I. M. Moyko, A. V. Shorokhov | ||
| "... -dimensional structure, containing impurity complexes “A++e” (a hole localized on a neutral acceptor ..." | ||
| 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 ..." | ||
| 1 - 12 of 12 Items | ||
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