Complete Virion Simulated: All-Atom Model of an MS2 Bacteriophage with Native Genome
Farafonov, Vladimir S., Stich, Michael, Nerukh, Dmitry A.
Published in Journal of chemical theory and computation (14.11.2023)
Published in Journal of chemical theory and computation (14.11.2023)
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Journal Article
Impact of mutations in SARS-CoV-2 recombinant sub-variant XBB.1.16 on the binding affinity with human ACE2 receptor
Tariq, Syeda Sumayya, Zia, Komal, Nur-e-Alam, Mohammad, Nerukh, Dmitry, Farafonov, Vladimir S., Ul-Haq, Zaheer
Published in Journal of molecular graphics & modelling (01.09.2024)
Published in Journal of molecular graphics & modelling (01.09.2024)
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Journal Article
Estimation of Nanoparticle’s Surface Electrostatic Potential in Solution Using Acid–Base Molecular Probes I: In Silico Implementation for Surfactant Micelles
Farafonov, Vladimir S., Lebed, Alexander V., Nerukh, Dmitry A., Mchedlov-Petrossyan, Nikolay O.
Published in The journal of physical chemistry. B (02.02.2023)
Published in The journal of physical chemistry. B (02.02.2023)
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Journal Article
Estimation of Nanoparticle’s Surface Electrostatic Potential in Solution Using Acid–Base Molecular Probes II: Insight from Atomistic Simulations of Micelles
Farafonov, Vladimir S., Lebed, Alexander V., Nerukh, Dmitry A., Mchedlov-Petrossyan, Nikolay O.
Published in The journal of physical chemistry. B (02.02.2023)
Published in The journal of physical chemistry. B (02.02.2023)
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Journal Article
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, Vladimir S, Lebed, Alexander V, Mchedlov-Petrossyan, Nikolay O
Published in Langmuir (22.08.2017)
Published in Langmuir (22.08.2017)
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Journal Article
Developing and Validating a Set of All-Atom Potential Models for Sodium Dodecyl Sulfate
Farafonov, Vladimir S, Lebed, Alexander V
Published in Journal of chemical theory and computation (13.06.2017)
Published in Journal of chemical theory and computation (13.06.2017)
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Journal Article
Solvatochromic betaine dyes of different hydrophobicity in ionic surfactant micelles: Molecular dynamics modeling of location character
Farafonov, Vladimir S., Lebed, Alexander V., Mchedlov-Petrossyan, Nikolay O.
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (05.02.2018)
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (05.02.2018)
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Journal Article
In Vitro and In Silico Investigation of Water-Soluble Fullerenol C60(OH)24: Bioactivity and Biocompatibility
Sharoyko, Vladimir V, Iamalova, Nailia R, Ageev, Sergei V, Meshcheriakov, Anatolii A, Iurev, Gleb O, Petrov, Andrey V, Nerukh, Dmitry A, Farafonov, Vladimir S, Vasina, Lubov V, Penkova, Anastasia V, Semenov, Konstantin N
Published in The journal of physical chemistry. B (19.08.2021)
Published in The journal of physical chemistry. B (19.08.2021)
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Journal Article
Graphene Oxide of Extra High Oxidation: A Wafer for Loading Guest Molecules
Abdelhalim, Abdelsattar O. E., Sharoyko, Vladimir V., Ageev, Sergei V., Farafonov, Vladimir S., Nerukh, Dmitry A., Postnov, Viktor N., Petrov, Andrey V., Semenov, Konstantin N.
Published in The journal of physical chemistry letters (21.10.2021)
Published in The journal of physical chemistry letters (21.10.2021)
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Journal Article
In search of an optimal acid-base indicator for examining surfactant micelles: Spectrophotometric studies and molecular dynamics simulations
Mchedlov-Petrossyan, Nikolay O., Farafonov, Vladimir S., Cheipesh, Tatyana A., Shekhovtsov, Sergey V., Nerukh, Dmitry A., Lebed, Alexander V.
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (20.03.2019)
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (20.03.2019)
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Journal Article
In Vitro and In Silico Investigation of Water-Soluble Fullerenol C 60 (OH) 24 : Bioactivity and Biocompatibility
Sharoyko, Vladimir V., Iamalova, Nailia R., Ageev, Sergei V., Meshcheriakov, Anatolii A., Iurev, Gleb O., Petrov, Andrey V., Nerukh, Dmitry A., Farafonov, Vladimir S., Vasina, Lubov V., Penkova, Anastasia V., Semenov, Konstantin N.
Published in The journal of physical chemistry. B (19.08.2021)
Published in The journal of physical chemistry. B (19.08.2021)
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Journal Article
An MD simulation study of Reichardt’s betaines in surfactant micelles: Unlike orientation and solvation of cationic, zwitterionic, and anionic dye species within the pseudophase
Vladimir S. Farafonov, Alexander V. Lebed, Nikolay O. Mchedlov-Petrossyan
Published in Visnyk Kharkivsʹkoho nat͡s︡ionalʹnoho universytetu. Serii͡a︡ Khimii͡a (01.09.2018)
Published in Visnyk Kharkivsʹkoho nat͡s︡ionalʹnoho universytetu. Serii͡a︡ Khimii͡a (01.09.2018)
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