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Person Profile

I. M. Neelov

Doctor of Physical and Mathematical Sciences

Publications

  1. 64Bezrodnyi V.V., Mikhtaniuk S.E., Shavykin O.V., Sheveleva N.N., Markelov D.A., Neelov I.M. A Molecular Dynamics Simulation of Complexes of Fullerenes and Lysine-Based Peptide Dendrimers with and without Glycine Spacers // International Journal of Molecular Sciences - 2024, Vol. 25, No. 2, pp. 691 [IF: 3.226, SJR: 1.179]
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  2. 63Bezrodnyi V.V., Fatullaev E.I., Mikhtaniuk S.E., Shavykin O.V., Neelov I.M., Darinskii A.A., Sheveleva N.N., Markelov D.A. Histidine-rich lysine-based dendrimer and its interaction with molecules of therapeutic tetrapeptide at two different pH // Magnetic Resonance and its Applications. SPINUS-2022: Proceedings 19th International School-Conference (Saint Petersburg, 28 марта – 1 апреля 2022 г.) - 2022, pp. 186-188
  3. 62Fatullaev E.I., Bezrodnyi V.V., Neelov I.M. MD Simulation of AEDG Peptide Complexes with New K2R Dendrimer and Dendrigraft // International Journal of Biology and Biomedical Engineering - 2022, Vol. 16, pp. 73-81
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  4. 61Shavykin O.V., Bezrodnyi V.V., Fatullaev E.I., Mikhtaniuk S.E., Darinskii A.A., Neelov I.M., Sheveleva N.N., Markelov D.A. The local orientational mobility of collapsed and swollen lysine based dendrimer with double histidine insertions // Magnetic Resonance and its Applications. SPINUS-2022: Proceedings 19th International School-Conference (Saint Petersburg, 28 марта – 1 апреля 2022 г.) - 2022, pp. 149-151
  5. 60Bezrodnyi V.V., Mikhtaniuk S.E., Shavykin O.V., Neelov I.M., Sheveleva N.N., Markelov D.A. Computer simulation and NMR study of the temperature dependencies of the structural and dynamic characteristics of Lys2Arg peptide dendrimers // Magnetic Resonance and its Applications. SPINUS-2021: Proceedings 18th International School-Conference - 2021, pp. 182-184
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  6. 59Bezrodnyi V.V., Mikhtaniuk S.E., Shavykin O.V., Neelov I.M., Sheveleva N.N., Markelov D.A. Size and Structure of Empty and Filled Nanocontainer Based on Peptide Dendrimer with Histidine Spacers at Different pH // Molecules - 2021, Vol. 26, No. 21, pp. 6552 [IF: 2.861, SJR: 0.744]
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  7. 58Bezrodnyi V.V., Shavykin O.V., Neelov I.M. Novel lysine-based peptide dendrimers modeled by the self-consistent field approach // Magnetic Resonance and its Applications. SPINUS-2021: Proceedings 18th International School-Conference - 2021, pp. 185-187
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  8. 57Fatullaev E.I., Shavykin O.V., Darinskii A.A., Neelov I.M. The Brownian dynamics and numerical self-consistent field simulations of the dendrigraft nanocontainers // Magnetic Resonance and its Applications. SPINUS-2021: Proceedings 18th International School-Conference - 2021, pp. 196-198
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  9. 56Mikhtaniuk S.E., Bezrodnyi V.V., Shavykin O.V., Neelov I.M., Sheveleva N.N., Markelov D.A. The structural and dynamic characteristics of Lys2Gly and Lys2Lys peptide dendrimers. The molecular dynamics simulation at different temperatures // Magnetic Resonance and its Applications. SPINUS-2021: Proceedings 18th International School-Conference - 2021, pp. 231-233
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  10. 55Mikhtaniuk S.E., Fatullaev E.I., Shavykin O.V., Darinskii A.A., Holm C., Neelov I.M. The self-assembly of the amphiphilic molecules consisting of polylysine dendrons with the single and double hydrophobic tails // Magnetic Resonance and its Applications. SPINUS-2021: Proceedings 18th International School-Conference - 2021, pp. 234-236
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  11. 54Sheveleva N.N., Bezrodnyi V.V., Mikhtaniuk S.E., Shavykin O.V., Neelov I.M., Tarasenko I.I., Vovk M.A., Mikhailova M.E., Penkova A.V., Markelov D.A. Local Orientational Mobility of Collapsed Dendrimers // Macromolecules - 2021, Vol. 54, No. 23, pp. 11083-11092 [IF: 5.835]
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  12. 53Tarabukina E., Fatullaev E.I., Krasova A., Sokolova M., Kurlykin M., Neelov I.M., Tenkovtsev A., Filippov A. Thermoresponsive molecular brushes with a rigid-chain aromatic polyester backbone and poly-2-alkyl-2-oxazoline side chains // International Journal of Molecular Sciences - 2021, Vol. 22, No. 22, pp. 12265 [IF: 3.226, SJR: 1.179]
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  13. 52 Gorzkiewicz M., Kopeс O., Janaszewska A., Konopka M., Pedziwiatr-Werbicka E., Tarasenko I.I., Bezrodnyi V.V., Neelov I.M., Klajnert-Maculewicz B. Poly(lysine) Dendrimers Form Complexes with siRNA and Provide Its Effcient Uptake by Myeloid Cells: Model Studies for Therapeutic Nucleic Acid Delivery // International Journal of Molecular Sciences - 2020, Vol. 21, No. 9, pp. 3138 [IF: 3.226, SJR: 1.179]
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  14. 51Bezrodniy V.V., Fatullaev E.I., Mikhtaniuk S.E., Tarasenko I.I., Neelov I.M. Interaction of lysine dendrimer with 8 and 16 molecules of EDR peptide // International Journal of Biology and Biomedical Engineering - 2020, Vol. 14, pp. 1-6
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  15. 50Bezrodniy V.V., Fatullaev E.I., Shavykin O.V., Neelov I.M. Molecular dynamics simulation of global and local dynamics in lysine-based dendrimers with double argenine and double histidine // Magnetic Resonance and its Applications. SPINUS-2020: Proceedings 17th International Youth School-Conference (Saint Petersburg, 29March-3April, 2020) [сборник трудов] - 2020, pp. 152-154
  16. 49Bezrodnyi V.V., Mikhtaniuk S.E., Shavykin O.V., Neelov I.M. The orientational dynamics in the dipeptides: the role of type of the side chains // Magnetic Resonance and its Applications. SPINUS-2020: Proceedings 17th International Youth School-Conference (Saint Petersburg, 29March-3April, 2020) [сборник трудов] - 2020, pp. 155-157
  17. 48Bezrodnyi V.V., Shavykin O.V., Mikhtaniuk S.E., Neelov I.M., Markelov D.A. Molecular Dynamics and Spin-Lattice NMR Relaxation in alpha- and epsilon-Polylysine // Applied Magnetic Resonance - 2020, Vol. 51, No. 12, pp. 1669-1679 [IF: 0.864, SJR: 0.272]
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  18. 47Bezrodnyi V.V., Shavykin O.V., Mikhtaniuk S.E., Neelov I.M., Sheveleva N.N., Markelov D.A. Why the orientational mobility in arginine and lysine spacers of peptide dendrimers designed for gene delivery is different? // International Journal of Molecular Sciences - 2020, Vol. 21, No. 24, pp. 9749 [IF: 3.226, SJR: 1.179]
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  19. 46Gorzkiewicz M., Konopka M., Janaszewska A., Tarasenko I.I., Sheveleva N.N., Gajek A., Neelov I.M., Klajnert-Maculewicz B. Application of new lysine-based peptide dendrimers D3K2 and D3G2 for gene delivery: Specific cytotoxicity to cancer cells and transfection in vitro // Bioorganic Chemistry - 2020, Vol. 95, pp. 103504 [IF: 3.231, SJR: 0.745]
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  20. 45Mikhtaniuk S.E., Bezrodniy V.V., Fatullaev E.I., Neelov I.M. Computer simulation of interaction of lysine dendrimer with molecules of Gly-Glu-Asp peptide // Magnetic Resonance and its Applications. SPINUS-2020: Proceedings 17th International Youth School-Conference (Saint Petersburg, 29March-3April, 2020) [сборник трудов] - 2020, pp. 217-220
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  21. 44Mikhtaniuk S.E., Bezrodniy V.V., Shavykin O.V., Neelov I.M., Sheveleva N.N., Penkova A.V., Markelov D.A. Comparison of Structure and Local Dynamics of Two Peptide Dendrimers with the Same Backbone but with Different Side Groups in Their Spacers // Polymers - 2020, Vol. 12, No. 8, pp. 1657 [IF: 3.364, SJR: 0.8]
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  22. 43Okrugin B.M., Richter R.P., Leermakers F., Neelov I.M., Zhulina E.B., Borisov O.V. Electroresponsive polyelectrolyte brushes studied by self-consistent field theory // Polymers - 2020, Vol. 12, No. 4, pp. 898 [IF: 3.364, SJR: 0.8]
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  23. 42Shavykin O.V., Neelov I.M., Borisov O.V., Darinskii A.A., Leermakers F. SCF Theory of Uniformly Charged Dendrimers: Impact of Asymmetry of Branching, Generation Number, and Salt Concentration // Macromolecules - 2020, Vol. 53, No. 17, pp. 7298-7311 [IF: 5.835]
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  24. 41Ilyash M.Y., Bezrodnyi V.V., Fatullaev E.I., Mikhtaniuk S.E., Tarasenko I.I., Neelov I.M. Computer simulation of complexation of lysine dendrigraft of second generation with DS dipeptide molecules // International Journal of Biology and Biomedical Engineering - 2019, Vol. 13, pp. 63-69
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  25. 40Khamidova D.N., Fatullaev E.I., Mikhtaniuk S.E., Neelov I.M. Interaction of dendrigraft of second generation with molecules of LVFFAE peptide. Molecular dynamics simulation // Magnetic Resonance and its Applications. SPINUS-2019: proceedings (16th International Youth School-Conference, Saint Petersburg, 31March-5April, 2019) [сборник тезисов] - 2019, pp. 185-187
  26. 39Mikhtaniuk S.E., Bezrodnyi V.V., Fatullaev E.I., Marchenko A.A., Bychkova E.I., Neelov I.M. Investigation of complex of lysine dendrimer of 2nd generation with 8 molecules of therapeutic vezugen peptide by computer simulation // Magnetic Resonance and its Applications. SPINUS-2019: proceedings (16th International Youth School-Conference, Saint Petersburg, 31March-5April, 2019) [сборник тезисов] - 2019, pp. 213-215
  27. 38Neelov I., Bezrodnyi V., Marchenko A., Fatullaev E., Miktaniuk S. Computer simulation of complex of lysine dendrigraft with molecules of therapeutic KED peptide // ITM Web of Conferences - 2019, Vol. 24, pp. 02008
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  28. 37Neelov I., Khamidova D., Bezrodnyi V., Mikhtaniuk S. Molecular Dynamics Simulation of Interaction of Lysine Dendrigraft of 2nd Generation with Stack of Amyloid Peptides // International Journal of Biology and Biomedical Engineering - 2019, Vol. 13, pp. 26-31
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  29. 36Shavykin O.V., Bezrodniy V.V., Mikhtaniuk S.E., Neelov I.M., Markelov D.A. Computer simulation of orientational dynamics in alpha- and epsilon-lysine peptides // Magnetic Resonance and its Applications. SPINUS-2019: proceedings (16th International Youth School-Conference, Saint Petersburg, 31March-5April, 2019) [сборник тезисов] - 2019, pp. 245-247
  30. 35Sheveleva N.N., Markelov D.A., Vovk M.A., Mikhailova M.E., Tarasenko I.I., Толстой П., Neelov I.M., Lahderanta E., Lahderanta E. Lysine-based dendrimer with double arginine residues // RSC Advances - 2019, Vol. 9, No. 31, pp. 18018-18026 [IF: 3.108, SJR: 0.715]
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  31. 34Sheveleva N.N., Markelov D.A., Vovk M.A., Tarasenko I.I., Mikhailova M.Y., Ilyash M., Neelov I.M., Lahderanta E. Stable Deuterium Labeling of Histidine-Rich Lysine-Based Dendrimers // Molecules - 2019, Vol. 24, No. 13, pp. 2481 [IF: 2.861, SJR: 0.744]
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  32. 33Khamidova D.N., Bezrodnyi V.V., Popova A., Mikhtaniuk S.E., Neelov I.M., Popova E.V. Molecular dynamics simulation of complexes of lysine dendrimer and dendrigraft with AENG tetrapeptide // International Journal of Biology and Biomedical Engineering - 2018, Vol. 12, pp. 45-58
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  33. 32Neelov I., Khamidova D., Popova E.V., Komilov F. Computer Simulation of Interaction of Lysine Dendrimer with Stack of Amyloid Peptides // Proceedings - 2017 4th International Conference on Mathematics and Computers in Sciences and in Industry, MCSI 2017 - 2018, Vol. 2018, pp. 183-188
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  34. 31Neelov I.M., Popova E.V., Khamidova D.N. Complexes and conjugates of lysine dendrimer with therapeutic tetrapeptides. Molecular dynamics simulation // AIP Conference Proceedings - 2018, Vol. 1982, pp. 020028 [SJR: 0.152]
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  35. 30Neelov I.M., Shavykin O.V., Ilyash M.Y., Bezrodnyi V.V., Mikhtaniuk S.E., Darinskii A.A. Comparison of size and other properties of lysine dendrimers and short lysine dendritic brush // Journal of Bioenergetics and Biomembranes - 2018, Vol. 50, No. 6, pp. 565-565 [IF: 2.576, SJR: 0.668]
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  36. 29Neelov I.M., Shavykin O.V., Ilyash M.Y., Bezrodnyi V.V., Mikhtaniuk S.E., Marchenko A.A., Fatullaev E.I., Darinskii A.A., Leermakers F.A. Application of High Performance Computing for Comparison of Two Highly Branched Lysine Molecules of Different Topology // Supercomputing Frontiers and Innovations - 2018, Vol. 5, No. 3, pp. 60-64 [SJR: 0.212]
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  37. 28Okrugin B.M., Ilyash M., Markelov D.A., Neelov I.M. Lysine dendrigraft nanocontainers. Influence of topology on their size and internal structure // Pharmaceutics - 2018, Vol. 10, No. 3, pp. 129 [SJR: 0.892]
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  38. 27Okrugin B.M., Richter R.P., Leermakers F.A., Neelov I.M., Borisov O.V., Zhulina E.B. Structure and properties of polydisperse polyelectrolyte brushes studied by self-consistent field theory // Soft Matter - 2018, Vol. 14, No. 30, pp. 6230-6242 [IF: 3.889, SJR: 0.783]
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  39. 26Popova E., Bezrodnyi V.V., Neelov I.M. Effect of dendrimer generation on the kinetics of peptide complex formation // Magnetic Resonance and its Applications. SPINUS-2018: abstracts book (15th International Youth School-Conference, Saint Petersburg, November 1-6 April, 2018) - 2018, pp. 232-235
  40. 25Shavykin O.V., Leermakers F.A., Neelov I.M., Darinskii A.A. Self-assembly of lysine-based dendritic surfactants modeled by the self-consistent field approach // Langmuir - 2018, Vol. 34, No. 4, pp. 1613–1626 [IF: 3.833, SJR: 0.786]
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  41. 24Shavykin O.V., Mikhailov I.V., Darinskii A.A., Neelov I.M., Leermakers F.A. Effect of an asymmetry of branching on structural characteristics of dendrimers revealed by Brownian dynamics simulations // Polymer - 2018, Vol. 146, pp. 256-266 [IF: 3.684, SJR: 0.829]
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  42. 23Sheveleva N.N., Markelov D.A., Vovk M.A., Mikhailova M.E., Tarasenko I.I., Neelov I.M., Lahderanta E. NMR studies of excluded volume interactions in peptide dendrimers // Scientific Reports - 2018, Vol. 8, pp. 8916 [IF: 4.259, SJR: 0.9]
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  43. 22Zhulina E.B., Neelov I.M., Sheiko S.S., Borisov O.V. Planar brush of end-tethered molecular bottle-brushes. Scaling model // Polymer Science - Series C - 2018, Vol. 60, No. Suppl.1, pp. 76-83 [IF: 2.556]
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  44. 21Gowdy J., Batchelor M., Neelov I.M., Paci E. Nonexponential Kinetics of Loop Formation in Proteins and Peptides: A Signature of Rugged Free Energy Landscapes? // Journal of Physical Chemistry B - 2017, Vol. 121, No. 41, pp. 9518–9525 [IF: 3.177, SJR: 0.76]
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  45. 20Neelov I., Popova E. Interaction of Lysine Dendrigraft of 2nd Generation and Semax Peptide. Molecular Dynamics Simulation // International Conference on Control, Artificial Intelligence, Robotics & Optimization (ICCAIRO) - 2017, pp. 182-186
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  46. 19Neelov I., Popova E., Khamidova D., Tarasenko I. Interaction of lysine dendrimers with therapeutic peptides. Molecular dynamics simulation // International Journal of Biology and Biomedical Engineering - 2017, Vol. 11, pp. 194-203
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  47. 18Neelov I., Popova E.V. Interaction of Lysine Dendrimer and Semax Peptides. Molecular Dynamics Simulation // International Journal of Biology and Biomedicine - 2017, Vol. 2, pp. 6-12
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  48. 17Neelov I.M., Popova E.V. Complexes of Lysine Dendrimer of 2nd/3rd Generations and Semax Peptides. Molecular Dynamics Simulation // WSEAS Transactions on Biology and Biomedicine - 2017, Vol. 14, pp. 75-82
  49. 16Neelov I.M., Popova E.V. Molecular Dynamics Simulation of Complex Formation by Lysine Dendrigraft of Second Generation and Semax Peptide // International Journal of Materials - 2017, Vol. 4, No. 1, pp. 16-21
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  50. 15Neelov I.M., Popova E.V., Khamidova D., Komilov Ф. Interaction of lysine dendrimers of 2nd and 3rd generation with stack of amyloid peptides. Molecular dynamics simulation // International Journal of Biology and Biomedical Engineering - 2017, Vol. 11, pp. 95-100
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  51. 14Neelov I.M., Popova E.V., Khamidova D.N., Tarasenko I.I. Complexes of Lysine Dendrimers of 2nd Generation with Semax and Epithalon Peptides. Molecular Dynamics Simulation // International Journal of Biology and Biomedicine - 2017, Vol. 2, pp. 28-33
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  52. 13Okrugin B.M., Neelov I.M., Leermakers F.A., Borisov O.V. Structure of asymmetrical peptide dendrimers: Insights given by self-consistent field theory // Polymer - 2017, Vol. 125, pp. 292-302 [IF: 3.684, SJR: 0.829]
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  53. 12Neelov I.M., Ilyash M.Y., Fal’Kovich S.G., Darinskii A.A. Computer simulation of lysine dendrimers by molecular dynamics method // Synthesis, Characterization and Modelling of Nano-Sized Structures - 2016, pp. 147-156
  54. 11Neelov I.M., Popova E.N. Molecular Dynamics Simulation of Lysine Dendrimer and Oppositely Charged Semax Peptides // Proceedings - 2016 3rd International Conference on Mathematics and Computers in Sciences and in Industry, MCSI 2016 - 2016, pp. 7815123
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  55. 10Neelov I.M., Попова Е.В., Округин Б.М. Molecular Dynamics Simulation of Interaction of Short Lysine Brush and Oppositely Charged Semax Peptides. Natural Science. // Scientific Research Publishing - 2016, Vol. 8, pp. 499-510
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  56. 9Shavykin O.V., Neelov I.M., Darinskii A.A. Is the manifestation of the local dynamics in the spin-lattice NMR relaxation in dendrimers sensitive to excluded volume interactions? // Physical Chemistry Chemical Physics - 2016, Vol. 18, No. 35, pp. 24307-24317 [IF: 4.123, SJR: 0.721]
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  57. 8Ilyash M.Y., Khamidova D.N., Okrugin B.M., Neelov I.M. Computer simulation of lysine dendrimers and their interactions with amyloid peptides // WSEAS Transaction on Biology and Biomedicine - 2015, Vol. 12, pp. 79-86
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  58. 7Ilyash M.Y., Markelov D.A., Neelov I.M. Structure of Lysine Dendrimers. Molecular Dynamic Simulation // Mathematical and Computational Methods in Applied Science - 2015, Vol. 51, pp. 155-160
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  59. 6Markelov D.A., Falkovich S.G., Neelov I.M., Ilyash M.Y., Matveev V.V., Lahderanta E., Matveev V.V., Falkovich S., Lahderanta E.M., Ingman P., Darinskii A.A. Molecular dynamics simulation of spin-lattice NMR relaxation in poly-L-lysine dendrimers: Manifestation of the semiflexibility effect // Physical Chemistry Chemical Physics - 2015, Vol. 17, No. 5, pp. 3214-3226 [IF: 4.123, SJR: 0.721]
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  60. 5Neelov I., Ilyash M., Falkovich S., Darinskii A. Computer simulation of lysine dendrimers by molecular dynamics method // Smart Nanocomposites - 2014, Vol. 5, No. 2, pp. 127-132
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  61. 4Yudin V.E., Dobrovolskaya I.P., Neelov I.M., Dresvyanina E.N., Popryadukhin P.V., Ivan’Kova E.M., Elokhovskii V.Y., Kasatkin I.A., Okrugin B.M., Morganti P. Wet spinning of fibers made of chitosan and chitin nanofibrils // Carbohydrate Polymers - 2014, Vol. 108, No. 1, pp. 176–182 [IF: 4.811, SJR: 1.831]
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  62. 3Falkovich S.G., Markelov D.A., Neelov I.M., Darinskii A.A. Are structural properties of dendrimers sensitive to the symmetry of branching? Computer simulation of lysine dendrimers // Journal of Chemical Physics - 2013, Vol. 139, No. 6, pp. 064903 [IF: 2.965, SJR: 1.101]
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  63. 2Neelov I.M., Janaszewska A., Klajnert B., Bryszewska M., Makova N.Z., Hicks D.A., Pearson H.A., Vlasov G.P., Ilyash M.Y., Vasilev D.S., Dubrovskaya N.M., Tumanova N.L., Zhuravin I.A., Turner A.J., Nalivaeva N.N. Molecular Properties of Lysine Dendrimers and their Interactions with A beta-Peptides and Neuronal Cells // Current Medicinal Chemistry - 2013, Vol. 20, No. 1, pp. 134-143 [IF: 3.249, SJR: 0.759]
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  64. 1Neelov I.M., Markelov D.A., Falkovich S.G., Ilyash M.Y., Okrugin B.M., Darinskii A.A. Mathematical Simulation of Lysine Dendrimers: Temperature Dependences // Polymer Science - Series C - 2013, Vol. 55, No. 1, pp. 154-161 [IF: 2.556, SJR: 0.295]
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