Andrei V. Komolkin

St Petersburg University — Russia

Materials Science · Physical Sciences

17h-index1.1kcitations83works3.02yr avg
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Research Topics

Liquid Crystal Research Advancements(14), Advanced NMR Techniques and Applications(12), Spectroscopy and Quantum Chemical Studies(10), NMR spectroscopy and applications(10), Material Dynamics and Properties(9)

Publications83 total

Comparative analysis of DNA interaction with Mn <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si5.svg" display="inline" id="d1e772"> <mml:msup> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:math> , 1,10-phenanthroline, mono- and binuclear complexes of manganese with 1,10-phenanthroline
International Journal of Biological Macromolecules·2025· 1 cited
Molecular dynamics simulation studies of pervaporation separation of methanol containing mixtures by poly-m-phenylene isophthalamide and its composite with MOF UiO-66 (NH2)
Materials Science and Engineering B·2025
New bis-pyrazolate zinc(<scp>ii</scp>) complexes as potential anticancer drugs: from structure to anticancer activity
New Journal of Chemistry·2025· 4 citedOpen Access
Molecular dynamics simulation of the process of extraction desulfurization of model fuel using n-methylpyrrolidone and ionic liquid
PPOR·2025Open Access
The effect of PEG-content and molecular weight of PEG-PPG-PEG block copolymers on the structure and performance of polyphenylsulfone ultra- and nanofiltration membranes
Journal of Membrane Science·2024· 17 cited
DNA Interaction with Coordination Compounds of Cd(II)containing 1,10-Phenanthroline
International Journal of Molecular Sciences·2024· 5 citedOpen Access
Local Structure of Atactic Polystyrene Investigated by Molecular Dynamics Method
WSEAS TRANSACTIONS ON SYSTEMS·2024Open Access
Molecular mobility of Cu(II) and Zn(II) complexes of various shapes in water according to molecular dynamics simulation
Journal of Coordination Chemistry·2024
Molecular Dynamics Simulation Studies of Pervaporation Separation of Methanol Containing Mixtures by Poly-M-Phenylene Isophthalamide and its Composite with Mof Uio-66 (Nh2)
SSRN Electronic Journal·2024Open Access
Molecular dynamics simulation of mechanical relaxation of poly(propyleneimine) dendrimers
Journal of Rheology·2023
Simulation of ionic-liquid extractive purification process of thiophene and <i>m</i>-xylene from their mixture with <i>n</i>-hexane by the molecular dynamics method
Modern Physics Letters B·2023· 1 cited
Molecular dynamics simulation of poly-m-phenylene isophthalamide polymer membrane modified by UiO-66 (NH2) MOF for separation of toluene/methanol mixture
Journal of Molecular Liquids·2023· 12 cited
Electrostatic Interactions in the Formation of DNA Complexes with Cis- and Trans-Isomers of Azobenzene-Containing Surfactants in Solutions with Di- and Trivalent Metal Ions
ACS Omega·2023· 1 citedOpen Access
Novel Mixed Matrix Membranes Based on Poly(vinylidene fluoride): Development, Characterization, Modeling
Polymers·2023· 13 citedOpen Access
Alizarin as a potential protector of proteins against damage caused by hydroperoxyl radical
Chemico-Biological Interactions·2023· 10 cited
Influence of the Chemical Structure on the Mechanical Relaxation of Dendrimers
Polymers·2023· 7 citedOpen Access
Nanostructuring Polystyrene in a Melt
Nanobiotechnology Reports·2022· 2 cited
Modification strategies of polyacrylonitrile ultrafiltration membrane using TiO2 for enhanced antifouling performance in water treatment
Separation and Purification Technology·2022· 54 cited
Cis-Isomers of Photosensitive Cationic Azobenzene Surfactants in DNA Solutions at Different NaCl Concentrations: Experiment and Modeling
The Journal of Physical Chemistry B·2021· 3 cited
COMPUTER SIMULATION OF ATACTIC POLYMERS
2021
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Frequent Co-authors

Vladimir I. Chizhik(11), Yuri S. Chernyshev(8), Alexey V. Donets(8), Vyacheslav V. Frolov(8), Marina G. Shelyapina(8), Andrei V. Egorov(8), Arnold Maliniak(6), Irina A. Silanteva(6), Denis A. Markelov(5), Nina A. Kasyanenko(5), Anastasia Penkova(4), Sergey V. Dvinskikh(4), Aatto Laaksonen(3), Mariia Dmitrenko(3), Anna Kuzminova(3), Dick Sandström(3), Tanja Soldatović(3), P. N. Vorontsov‐Velyaminov(3), Svetlana Santer(3), Alexander P. Lyubartsev(2)