Vladimir A. Palyulin - Search Results

Year	Number of Results
2002	2
2003	2
2004	1
2005	2
2006	3
2007	2
2008	3
2009	2
2011	5
2012	4
2013	3
2014	1
2015	3
2016	2
2017	3
2018	7
2019	15
2020	9
2021	4
2022	11
2023	9
2024	4

1

Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function?

Shaimardanov AR, Shulga DA, Palyulin VA. Shaimardanov AR, et al. Among authors: palyulin va. J Comput Chem. 2024 Apr 25. doi: 10.1002/jcc.27373. Online ahead of print. J Comput Chem. 2024. PMID: 38661234

2

Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.

Vasyankin AV, Panteleev SV, Steshin IS, Shirokova EA, Rozhkov AV, Livshits GD, Radchenko EV, Ignatov SK, Palyulin VA. Vasyankin AV, et al. Among authors: palyulin va. Molecules. 2024 Feb 2;29(3):696. doi: 10.3390/molecules29030696. Molecules. 2024. PMID: 38338443 Free PMC article.

3

Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease.

Makhaeva GF, Kovaleva NV, Rudakova EV, Boltneva NP, Lushchekina SV, Astakhova TY, Timokhina EN, Serkov IV, Proshin AN, Soldatova YV, Poletaeva DA, Faingold II, Mumyatova VA, Terentiev AA, Radchenko EV, Palyulin VA, Bachurin SO, Richardson RJ. Makhaeva GF, et al. Among authors: palyulin va. Molecules. 2024 Jan 9;29(2):321. doi: 10.3390/molecules29020321. Molecules. 2024. PMID: 38257233 Free PMC article.

4

Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.

Steshin IS, Vasyankin AV, Shirokova EA, Rozhkov AV, Livshits GD, Panteleev SV, Radchenko EV, Ignatov SK, Palyulin VA. Steshin IS, et al. Among authors: palyulin va. Int J Mol Sci. 2024 Jan 13;25(2):1006. doi: 10.3390/ijms25021006. Int J Mol Sci. 2024. PMID: 38256079 Free PMC article.

5

5-Nitroisoxazoles in S_NAr Reactions: A Novel Chemo- and Regioselective Approach to Isoxazole-Based Bivalent Ligands of AMPA Receptors.

Vasilenko DA, Temnyakova NS, Dronov SE, Radchenko EV, Grishin YK, Gabrel'yan AV, Zamoyski VL, Grigoriev VV, Averina EB, Palyulin VA. Vasilenko DA, et al. Among authors: palyulin va. Int J Mol Sci. 2023 Nov 9;24(22):16135. doi: 10.3390/ijms242216135. Int J Mol Sci. 2023. PMID: 38003327 Free PMC article.

6

Derivatives of 9-phosphorylated acridine as butyrylcholinesterase inhibitors with antioxidant activity and the ability to inhibit β-amyloid self-aggregation: potential therapeutic agents for Alzheimer's disease.

Makhaeva GF, Kovaleva NV, Rudakova EV, Boltneva NP, Lushchekina SV, Astakhova TY, Timokhina EN, Serebryakova OG, Shchepochkin AV, Averkov MA, Utepova IA, Demina NS, Radchenko EV, Palyulin VA, Fisenko VP, Bachurin SO, Chupakhin ON, Charushin VN, Richardson RJ. Makhaeva GF, et al. Among authors: palyulin va. Front Pharmacol. 2023 Aug 9;14:1219980. doi: 10.3389/fphar.2023.1219980. eCollection 2023. Front Pharmacol. 2023. PMID: 37654616 Free PMC article.

7

New Allosteric Modulators of AMPA Receptors: Synthesis and Study of Their Functional Activity by Radioligand-Receptor Binding Analysis.

Golubeva EA, Lavrov MI, Veremeeva PN, Vyunova TV, Shevchenko KV, Topchiy MA, Asachenko AF, Palyulin VA. Golubeva EA, et al. Among authors: palyulin va. Int J Mol Sci. 2023 Jun 18;24(12):10293. doi: 10.3390/ijms241210293. Int J Mol Sci. 2023. PMID: 37373440 Free PMC article.

8

Charge-changing point mutations in the E protein of tick-borne encephalitis virus.

Kozlovskaya LI, Osolodkin DI, Tuchynskaya KK, Shevtsova AS, Okhezin EV, Palyulin VA, Nikitin NA, Karganova GG. Kozlovskaya LI, et al. Among authors: palyulin va. Arch Virol. 2023 Mar 5;168(3):100. doi: 10.1007/s00705-023-05728-3. Arch Virol. 2023. PMID: 36871232

9

On hidden anisotropy of formally charged fragments.

Shaimardanov AR, Shulga DA, Palyulin VA. Shaimardanov AR, et al. Among authors: palyulin va. J Comput Chem. 2023 May 15;44(13):1312-1315. doi: 10.1002/jcc.27083. Epub 2023 Feb 14. J Comput Chem. 2023. PMID: 36786238

10

Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane.

Savintseva LA, Steshin IS, Avdoshin AA, Panteleev SV, Rozhkov AV, Shirokova EA, Livshits GD, Vasyankin AV, Radchenko EV, Ignatov SK, Palyulin VA. Savintseva LA, et al. Among authors: palyulin va. Molecules. 2023 Jan 31;28(3):1347. doi: 10.3390/molecules28031347. Molecules. 2023. PMID: 36771014 Free PMC article.

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