Nemukhin AV - Search Results

1

Role of Protein Dimeric Interface in Allosteric Inhibition of N-Acetyl-Aspartate Hydrolysis by Human Aspartoacylase.

Kots ED, Lushchekina SV, Varfolomeev SD, Nemukhin AV. Kots ED, et al. Among authors: nemukhin av. J Chem Inf Model. 2017 Aug 28;57(8):1999-2008. doi: 10.1021/acs.jcim.7b00133. Epub 2017 Aug 4. J Chem Inf Model. 2017. PMID: 28737906

2

Characterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling.

Nemukhin AV, Lushchekina SV, Bochenkova AV, Golubeva AA, Varfolomeev SD. Nemukhin AV, et al. J Mol Model. 2008 May;14(5):409-16. doi: 10.1007/s00894-008-0287-y. Epub 2008 Mar 15. J Mol Model. 2008. PMID: 18343962

3

Correlation between the substrate structure and the rate of acetylcholinesterase hydrolysis modeled with the combined quantum mechanical/molecular mechanical studies.

Lushchekina SV, Nemukhin AV, Morozov DI, Varfolomeev SD. Lushchekina SV, et al. Among authors: nemukhin av. Chem Biol Interact. 2010 Sep 6;187(1-3):59-63. doi: 10.1016/j.cbi.2010.04.005. Epub 2010 Apr 14. Chem Biol Interact. 2010. PMID: 20398640

4

On quantum mechanical--molecular mechanical (QM/MM) approaches to model hydrolysis of acetylcholine by acetylcholinesterase.

Nemukhin AV, Grigorenko BL, Morozov DI, Kochetov MS, Lushchekina SV, Varfolomeev SD. Nemukhin AV, et al. Chem Biol Interact. 2013 Mar 25;203(1):51-6. doi: 10.1016/j.cbi.2012.08.027. Epub 2012 Sep 13. Chem Biol Interact. 2013. PMID: 22982775

5

Molecular modeling evidence for His438 flip in the mechanism of butyrylcholinesterase hysteretic behavior.

Lushchekina SV, Nemukhin AV, Varfolomeev SD, Masson P. Lushchekina SV, et al. Among authors: nemukhin av. J Mol Neurosci. 2014 Mar;52(3):434-45. doi: 10.1007/s12031-013-0178-2. Epub 2013 Dec 6. J Mol Neurosci. 2014. PMID: 24310732

6

All-atom structures and calcium binding sites of the bacterial photosynthetic LH1-RC core complex from Thermochromatium tepidum.

Khrenova MG, Nemukhin AV, Grigorenko BL, Wang P, Zhang JP. Khrenova MG, et al. Among authors: nemukhin av. J Mol Model. 2014 Jun;20(6):2287. doi: 10.1007/s00894-014-2287-4. Epub 2014 May 23. J Mol Model. 2014. PMID: 24852455

7

Reaction Mechanism of Guanosine Triphosphate Hydrolysis by the Vision-Related Protein Complex Arl3-RP2.

Khrenova MG, Kots ED, Nemukhin AV. Khrenova MG, et al. Among authors: nemukhin av. J Phys Chem B. 2016 Apr 28;120(16):3873-9. doi: 10.1021/acs.jpcb.6b03363. Epub 2016 Apr 13. J Phys Chem B. 2016. PMID: 27043216

8

Understanding the non-catalytic behavior of human butyrylcholinesterase silent variants: Comparison of wild-type enzyme, catalytically active Ala328Cys mutant, and silent Ala328Asp variant.

Lushchekina S, Nemukhin A, Varfolomeev S, Masson P. Lushchekina S, et al. Chem Biol Interact. 2016 Nov 25;259(Pt B):223-232. doi: 10.1016/j.cbi.2016.04.007. Epub 2016 Apr 7. Chem Biol Interact. 2016. PMID: 27062896

9

Modeling the Complete Catalytic Cycle of Aspartoacylase.

Kots ED, Khrenova MG, Lushchekina SV, Varfolomeev SD, Grigorenko BL, Nemukhin AV. Kots ED, et al. Among authors: nemukhin av. J Phys Chem B. 2016 May 12;120(18):4221-31. doi: 10.1021/acs.jpcb.6b02542. Epub 2016 Apr 29. J Phys Chem B. 2016. PMID: 27089954

10

Analysis of proton wires in the enzyme active site suggests a mechanism of c-di-GMP hydrolysis by the EAL domain phosphodiesterases.

Grigorenko BL, Knyazeva MA, Nemukhin AV. Grigorenko BL, et al. Among authors: nemukhin av. Proteins. 2016 Nov;84(11):1670-1680. doi: 10.1002/prot.25108. Epub 2016 Aug 10. Proteins. 2016. PMID: 27479508

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