Немухин Александр Владимирович

Публикации в базе данных Math-Net.Ru

1. Modeling of enzyme-catalyzed P–O bond cleavage in the adenosine triphosphate molecule
   
   Mendeleev Commun., 34:1 (2024),  1–7
2. Mechanism of chemical reactions in the active site of aspartate N-acetyltransferase NAT8L revealed by molecular modeling
   
   Mendeleev Commun., 32:6 (2022),  739–741
3. 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
4. Modeling of the glycine tripeptide cyclization in the Ser65Gly/Tyr66Gly mutant of green fluorescent protein
   
   Mendeleev Commun., 29:2 (2019),  187–189
5. Аспартоацилаза — фермент центральной нервной системы: структура, каталитическая активность, механизмы регуляции
   
   Усп. хим., 88:1 (2019),  1–26
6. 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
7. Квантово-химическое моделирование в исследовании молекулярных механизмов действия ферментов
   
   Усп. хим., 81:11 (2012),  1011–1025
8. Расчеты взаимодействий в биомолекулярных системах: сравнение квантовых и классических подходов
   
   Выч. мет. программирование, 12:2 (2011),  298–302
9. Исследования матрично-изолированных частиц: спектроскопия и молекулярное моделирование
   
   Усп. хим., 76:12 (2007),  1163–1170
10. Serine hydrolase catalytic sites : geometry invariants and modeling catalytic activity
    
    Mendeleev Commun., 16:6 (2006),  290–292
11. Interaction of lanthanide atoms with 4-pentyl-4’-cyanobiphenyl in low-temperature condensates
    
    Mendeleev Commun., 15:1 (2005),  10–11
12. On the potential-energy surface of the Mg + CO₂ (C_2v) system
    
    Mendeleev Commun., 11:4 (2001),  150–151
13. An ab initio study of the anionic clusters Cl^–(HF)_n (n = 1–5)
    
    Mendeleev Commun., 9:6 (1999),  215–217
14. Characterization of structures and spectra of holmium complexes formed in the CO and N₂ matrices
    
    Mendeleev Commun., 9:3 (1999),  88–90
15. Modeling structure and spectra of silver complexes in condensate films of polar liquid crystals
    
    Mendeleev Commun., 8:6 (1998),  218–220
16. 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 a,b-h,g-[Pt{o-C₆H₄C(Me)=NOC(=O)Me}(μ-Cl)]₂
    
    Mendeleev Commun., 7:4 (1997),  159–162
17. Structure and spectra of methylmagnesium Grignard complexes
    
    Mendeleev Commun., 6:1 (1996),  5–7
18. Quantum Chemistry of Chemisorption of Ethylene at the Active Site of Alumophenylsiloxane
    
    Mendeleev Commun., 4:4 (1994),  144–146
19. Молекулярные спектры и строение оксидов бора и алюминия
    
    Усп. хим., 62:6 (1993),  566–578