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Publications in Math-Net.Ru |
Citations |
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2024 |
| 1. |
M. G. Khrenova, T. I. Mulashkina, R. A. Stepanyuk, A. V. Nemukhin, “Modeling of enzyme-catalyzed P–O bond cleavage in the adenosine triphosphate molecule”, Mendeleev Commun., 34:1 (2024), 1–7   |
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2022 |
| 2. |
I. V. Polyakov, M. G. Khrenova, B. L. Grigorenko, A. V. Nemukhin, “Mechanism of chemical reactions in the active site of aspartate <i>N</i>-acetyltransferase NAT8L revealed by molecular modeling”, Mendeleev Commun., 32:6 (2022), 739–741 |
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2020 |
| 3. |
M. G. Khrenova, A. V. Nemukhin, V. G. Tsirelson, “Discrimination of enzyme–substrate complexes by reactivity using the electron density analysis: peptide bond hydrolysis by the matrix metalloproteinase-2”, Mendeleev Commun., 30:5 (2020), 583–585 |
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2019 |
| 4. |
B. L. Grigorenko, E. D. Kots, A. I. Krylov, A. V. Nemukhin, “Modeling of the glycine tripeptide cyclization in the Ser65Gly/Tyr66Gly mutant of green fluorescent protein”, Mendeleev Commun., 29:2 (2019), 187–189 |
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| 5. |
E. D. Kots, M. G. Khrenova, A. V. Nemukhin, S. D. Varfolomeev, “Aspartoacylase: a central nervous system enzyme. Structure, catalytic activity and regulation mechanisms”, Usp. Khim., 88:1 (2019), 1–26  ; Russian Chem. Reviews, 88:1 (2019), 1–26  |
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2016 |
| 6. |
T. Vasilevskaya, M. G. Khrenova, A. V. Nemukhin, W. Thiel, “Reaction mechanism of matrix metalloproteinases with a catalytically active zinc ion studied by the QM(DFTB)/MM simulations”, Mendeleev Commun., 26:3 (2016), 209–211 |
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2012 |
| 7. |
A. V. Nemukhin, B. L. Grigorenko, S. V. Lushchekina, S. D. Varfolomeev, “Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis”, Usp. Khim., 81:11 (2012), 1011–1025 ; Russian Chem. Reviews, 81:11 (2012), 1011–1025 |
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2011 |
| 8. |
Z. G. Bazhanova, M. G. Khrenova, A. V. Nemukhin, “Calculations of interactions in biomolecular systems: comparison
of quantum and classical approaches”, Num. Meth. Prog., 12:2 (2011), 298–302 |
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2007 |
| 9. |
A. V. Nemukhin, L. Yu. Khriachtchev, B. L. Grigorenko, A. V. Bochenkova, M. Räsänen, “Investigation of matrix-isolated species: spectroscopy and molecular modelling”, Usp. Khim., 76:12 (2007), 1163–1170 ; Russian Chem. Reviews, 76:12 (2007), 1085–1092 |
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2006 |
| 10. |
A. V. Nemukhin, I. A. Gariev, A. V. Rogov, S. D. Varfolomeev, “Serine hydrolase catalytic sites : geometry invariants and modeling catalytic activity”, Mendeleev Commun., 16:6 (2006), 290–292 |
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2005 |
| 11. |
A. V. Vlasov, T. I. Shabatina, A. Yu. Ivanov, G. G. Sheina, A. V. Nemukhin, G. B. Sergeev, “Interaction of lanthanide atoms with 4-pentyl-4’-cyanobiphenyl in low-temperature condensates”, Mendeleev Commun., 15:1 (2005), 10–11 |
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2001 |
| 12. |
E. V. Polikarpov, A. A. Granovsky, A. V. Nemukhin, “On the potential-energy surface of the Mg + CO<sub>2</sub> (<i>C</i><sub>2v</sub>) system”, Mendeleev Commun., 11:4 (2001), 150–151 |
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1999 |
| 13. |
A. V. Nemukhin, A. A. Granovsky, D. A. Firsov, “An <i>ab initio</i> study of the anionic clusters Cl<sup>–</sup>(HF)<sub><i>n</i></sub> (<i>n</i> = 1–5)”, Mendeleev Commun., 9:6 (1999), 215–217 |
5
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| 14. |
A. Yu. Ermilov, A. V. Nemukhin, V. M. Kovba, “Characterization of structures and spectra of holmium complexes formed in the CO and N<sub>2</sub> matrices”, Mendeleev Commun., 9:3 (1999), 88–90 |
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1998 |
| 15. |
N. V. Ozhegova, A. V. Nemukhin, T. I. Shabatina, G. B. Sergeev, “Modeling structure and spectra of silver complexes in condensate films of polar liquid crystals”, Mendeleev Commun., 8:6 (1998), 218–220 |
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1997 |
| 16. |
G. M. Kazankov, O. G. Dyachenko, A. V. Nemukhin, A. D. Ryabov, “The nature of biomimetically relevant rate enhancement of hydrolysis in a coordination sphere of square-planar metal complexes suggested by an X-ray structural study of <i>a,b-h,g</i>-[Pt{<i>o</i>-C<sub>6</sub>H<sub>4</sub>C(Me)=NOC(=O)Me}(μ-Cl)]<sub>2</sub>”, Mendeleev Commun., 7:4 (1997), 159–162 |
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1996 |
| 17. |
A. V. Nemukhin, V. N. Soloviev, G. B. Sergeev, I. A. Topol, “Structure and spectra of methylmagnesium Grignard complexes”, Mendeleev Commun., 6:1 (1996), 5–7 |
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1994 |
| 18. |
A. V. Nemukhin, I. M. Kolesnikov, V. A. Vinokurov, “Quantum Chemistry of Chemisorption of Ethylene at the Active Site of Alumophenylsiloxane”, Mendeleev Commun., 4:4 (1994), 144–146 |
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1993 |
| 19. |
A. V. Nemukhin, L. V. Serebrennikov, “The molecular spectra and structure of the oxides of boron and aluminium”, Usp. Khim., 62:6 (1993), 566–578 ; Russian Chem. Reviews, 62:6 (1993), 527–538 |
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