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Page 1
Estimation of Nanoparticle's Surface Electrostatic Potential in Solution Using Acid-Base Molecular Probes II: Insight from Atomistic Simulations of Micelles.
J Phys Chem B. 2023 Feb 2;127(4):1031-1038. doi: 10.1021/acs.jpcb.2c07028. Epub 2023 Jan 19.
J Phys Chem B. 2023.
PMID: 36657036
Computing pKa Shifts Using Traditional Molecular Dynamics: Example of Acid-Base Indicator Dyes in Organized Solutions.
Farafonov VS, Lebed AV, Mchedlov-Petrossyan NO.
Farafonov VS, et al. Among authors: lebed av.
J Chem Theory Comput. 2020 Sep 8;16(9):5852-5865. doi: 10.1021/acs.jctc.0c00231. Epub 2020 Aug 21.
J Chem Theory Comput. 2020.
PMID: 32786914
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Developing and Validating a Set of All-Atom Potential Models for Sodium Dodecyl Sulfate.
Farafonov VS, Lebed AV.
Farafonov VS, et al. Among authors: lebed av.
J Chem Theory Comput. 2017 Jun 13;13(6):2742-2750. doi: 10.1021/acs.jctc.7b00181. Epub 2017 May 5.
J Chem Theory Comput. 2017.
PMID: 28388094
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Character of Localization and Microenvironment of Solvatochromic Reichardt's Betaine Dye in Sodium n-Dodecyl Sulfate and Cetyltrimethylammonium Bromide Micelles: Molecular Dynamics Simulation Study.
Farafonov VS, Lebed AV, Mchedlov-Petrossyan NO.
Farafonov VS, et al. Among authors: lebed av.
Langmuir. 2017 Aug 22;33(33):8342-8352. doi: 10.1021/acs.langmuir.7b01737. Epub 2017 Aug 14.
Langmuir. 2017.
PMID: 28722416
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The influence of beta-cyclodextrin on acid-base and tautomeric equilibrium of fluorescein dyes in aqueous solution.
Bogdanova LN, McHedlov-Petrossyan NO, Vodolazkaya NA, Lebed AV.
Bogdanova LN, et al. Among authors: lebed av.
Carbohydr Res. 2010 Sep 3;345(13):1882-90. doi: 10.1016/j.carres.2010.07.002. Epub 2010 Aug 2.
Carbohydr Res. 2010.
PMID: 20678757
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Estimation of Nanoparticle's Surface Electrostatic Potential in Solution Using Acid-Base Molecular Probes I: In Silico Implementation for Surfactant Micelles.
Farafonov VS, Lebed AV, Nerukh DA, Mchedlov-Petrossyan NO.
Farafonov VS, et al. Among authors: lebed av.
J Phys Chem B. 2023 Feb 2;127(4):1022-1030. doi: 10.1021/acs.jpcb.2c07012. Epub 2023 Jan 19.
J Phys Chem B. 2023.
PMID: 36655872
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