| Computer simulations of deep eutectic solvents: Challenges, solutions, and perspectives D Tolmachev, N Lukasheva, R Ramazanov, V Nazarychev, N Borzdun, ... International journal of molecular sciences 23 (2), 645, 2022 | 83 | 2022 |
| Green method for preparation of cellulose nanocrystals using deep eutectic solvent MA Smirnov, MP Sokolova, DA Tolmachev, VK Vorobiov, IA Kasatkin, ... Cellulose 27, 4305-4317, 2020 | 61 | 2020 |
| Overbinding and Qualitative and Quantitative Changes Caused by Simple Na+ and K+ Ions in Polyelectrolyte Simulations: Comparison of Force Fields with and … DA Tolmachev, OS Boyko, NV Lukasheva, H Martinez-Seara, M Karttunen Journal of Chemical Theory and Computation 16 (1), 677-687, 2019 | 52 | 2019 |
| Poly (lactic acid)‐based nanocomposites filled with cellulose nanocrystals with modified surface: all‐atom molecular dynamics simulations AD Glova, SG Falkovich, SV Larin, DA Mezhenskaia, NV Lukasheva, ... Polymer International 65 (8), 892-898, 2016 | 40 | 2016 |
| Cellulose nanofibrils and mechanism of their mineralization in biomimetic synthesis of hydroxyapatite/native bacterial cellulose nanocomposites: molecular dynamics simulations NV Lukasheva, DA Tolmachev Langmuir 32 (1), 125-134, 2016 | 40 | 2016 |
| Influence of specific intermolecular interactions on the thermal and dielectric properties of bulk polymers: atomistic molecular dynamics simulations of Nylon 6 NV Lukasheva, DA Tolmachev, VM Nazarychev, JM Kenny, SV Lyulin Soft Matter 13 (2), 474-485, 2017 | 33 | 2017 |
| Interactions binding mineral and organic phases in nanocomposites based on bacterial cellulose and calcium phosphates DA Tolmachev, NV Lukasheva Langmuir 28 (37), 13473-13484, 2012 | 28 | 2012 |
| Molecular dynamics simulations of oligoester brushes: The origin of unusual conformations AD Glova, SV Larin, SG Falkovich, VM Nazarychev, DA Tolmachev, ... Soft Matter 13 (37), 6627-6638, 2017 | 22 | 2017 |
| Molecular-level insight into the interaction of phospholipid bilayers with cellulose AY Kostritskii, DA Tolmachev, NV Lukasheva, AA Gurtovenko Langmuir 33 (44), 12793-12803, 2017 | 18 | 2017 |
| Nanotextures of composites based on the interaction between hydroxyapatite and cellulose Gluconacetobacter xylinus DP Romanov, AK Khripunov, YG Baklagina, AV Severin, NV Lukasheva, ... Glass Physics and Chemistry 40, 367-374, 2014 | 13 | 2014 |
| Investigation of structure and properties of polymerizable deep eutectic solvent based on choline chloride and acrylic acid D Tolmachev, V Nazarychev, V Fedotova, V Vorobiov, N Lukasheva, ... Journal of Molecular Liquids 370, 121030, 2023 | 12 | 2023 |
| Changes in the Local Conformational States Caused by Simple Na+ and K+ Ions in Polyelectrolyte Simulations: Comparison of Seven Force Fields with and … N Lukasheva, D Tolmachev, H Martinez-Seara, M Karttunen Polymers 14 (2), 252, 2022 | 12 | 2022 |
| Interaction between nanosized crystalline components of a composite based on Acetobacter xylinum cellulose and calcium phosphates YG Baklagina, NV Lukasheva, AK Khripunov, VV Klechkovskaya, ... Polymer Science Series A 52 (4), 419-429, 2010 | 12 | 2010 |
| Mineralization of phosphorylated cellulose: Crucial role of surface structure and monovalent ions for optimizing calcium content NV Lukasheva, DA Tolmachev, M Karttunen Physical Chemistry Chemical Physics 21 (3), 1067-1077, 2019 | 11 | 2019 |
| Spidroins under the Influence of Alcohol: Effect of Ethanol on Secondary Structure and Molecular Level Solvation of Silk-Like Proteins DA Tolmachev, M Malkamäki, MB Linder, M Sammalkorpi Biomacromolecules 24 (12), 5638-5653, 2023 | 10 | 2023 |
| Influence of calcium binding on conformations and motions of anionic polyamino acids. effect of side chain length D Tolmachev, N Lukasheva, G Mamistvalov, M Karttunen Polymers 12 (6), 1279, 2020 | 10 | 2020 |
| Study of the process of mineralization of nanofibrils of native bacterial cellulose in solutions of mineral ions: Modeling via the method of molecular dynamics DA Tolmachev, NV Lukasheva Polymer Science Series A 56, 545-557, 2014 | 9 | 2014 |
| Triblock Proteins with Weakly Dimerizing Terminal Blocks and an Intrinsically Disordered Region for Rational Design of Condensate Properties D Fedorov, N Roas‐Escalona, D Tolmachev, AL Harmat, A Scacchi, ... Small 20 (13), 2306817, 2024 | 5 | 2024 |
| Effects of amino acid side-chain length and chemical structure on anionic polyglutamic and polyaspartic acid cellulose-based polyelectrolyte brushes D Tolmachev, G Mamistvalov, N Lukasheva, S Larin, M Karttunen Polymers 13 (11), 1789, 2021 | 5 | 2021 |
| Computational modeling of polylactide and its cellulose-reinforced nanocomposites SG Falkovich, SV Larin, NV Lukasheva, VM Nazarychev, DA Tolmachev, ... Multifunctional Polymeric Nanocomposites Based on Cellulosic Reinforcements …, 2016 | 5 | 2016 |
Karttunen MikkoProfessor of Chemistry & Physics, The University of Western OntarioE-mailová adresa ověřena na: uwo.ca