Blinov N - Search Results

1

Hydration effects on the HET-s prion and amyloid-beta fibrillous aggregates, studied with three-dimensional molecular theory of solvation.

Yamazaki T, Blinov N, Wishart D, Kovalenko A. Yamazaki T, et al. Among authors: blinov n. Biophys J. 2008 Nov 15;95(10):4540-8. doi: 10.1529/biophysj.107.123000. Epub 2008 Aug 8. Biophys J. 2008. PMID: 18689456 Free PMC article.

2

Structural domains and main-chain flexibility in prion proteins.

Blinov N, Berjanskii M, Wishart DS, Stepanova M. Blinov N, et al. Biochemistry. 2009 Feb 24;48(7):1488-97. doi: 10.1021/bi802043h. Biochemistry. 2009. PMID: 19178154

3

Essential role of hydration in aggregation of misfolded prion proteins: quantification by molecular theory of solvation.

Yamazaki T, Blinov N, Wishart D, Kovalenko A. Yamazaki T, et al. Among authors: blinov n. J Toxicol Environ Health A. 2009;72(17-18):1060-8. doi: 10.1080/15287390903084462. J Toxicol Environ Health A. 2009. PMID: 19697240

4

Association thermodynamics and conformational stability of beta-sheet amyloid beta(17-42) oligomers: effects of E22Q (Dutch) mutation and charge neutralization.

Blinov N, Dorosh L, Wishart D, Kovalenko A. Blinov N, et al. Biophys J. 2010 Jan 20;98(2):282-96. doi: 10.1016/j.bpj.2009.09.062. Biophys J. 2010. PMID: 20338850 Free PMC article.

5

Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins.

Pagadala NS, Bjorndahl TC, Blinov N, Kovalenko A, Wishart DS. Pagadala NS, et al. Among authors: blinov n. J Mol Model. 2013 Dec;19(12):5225-35. doi: 10.1007/s00894-013-1979-5. Epub 2013 Oct 15. J Mol Model. 2013. PMID: 24126825

6

Role of water in ligand binding to maltose-binding protein: insight from a new docking protocol based on the 3D-RISM-KH molecular theory of solvation.

Huang W, Blinov N, Wishart DS, Kovalenko A. Huang W, et al. Among authors: blinov n. J Chem Inf Model. 2015 Feb 23;55(2):317-28. doi: 10.1021/ci500520q. Epub 2015 Jan 26. J Chem Inf Model. 2015. PMID: 25545470

7

Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

Huang W, Blinov N, Kovalenko A. Huang W, et al. Among authors: blinov n. J Phys Chem B. 2015 Apr 30;119(17):5588-97. doi: 10.1021/acs.jpcb.5b01291. Epub 2015 Apr 15. J Phys Chem B. 2015. PMID: 25844645

8

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

Luchko T, Blinov N, Limon GC, Joyce KP, Kovalenko A. Luchko T, et al. Among authors: blinov n. J Comput Aided Mol Des. 2016 Nov;30(11):1115-1127. doi: 10.1007/s10822-016-9947-7. Epub 2016 Sep 1. J Comput Aided Mol Des. 2016. PMID: 27585474

9

Predicting Accurate Solvation Free Energy in n-Octanol Using 3D-RISM-KH Molecular Theory of Solvation: Making Right Choices.

Roy D, Blinov N, Kovalenko A. Roy D, et al. Among authors: blinov n. J Phys Chem B. 2017 Oct 5;121(39):9268-9273. doi: 10.1021/acs.jpcb.7b06375. Epub 2017 Sep 25. J Phys Chem B. 2017. PMID: 28880087

10

The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations.

Hinge VK, Blinov N, Roy D, Wishart DS, Kovalenko A. Hinge VK, et al. Among authors: blinov n. J Comput Aided Mol Des. 2019 Oct;33(10):913-926. doi: 10.1007/s10822-019-00239-3. Epub 2019 Nov 4. J Comput Aided Mol Des. 2019. PMID: 31686367

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