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Overbinding and Qualitative and Quantitative Changes Caused by Simple Na+ and K+ Ions in Polyelectrolyte Simulations: Comparison of Force Fields with and without NBFIX and ECC Corrections

Journal of chemical theory and computation, 2020-01, Vol.16 (1), p.677-687

2020

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Cellulose Nanofibrils and Mechanism of their Mineralization in Biomimetic Synthesis of Hydroxyapatite/Native Bacterial Cellulose Nanocomposites: Molecular Dynamics Simulations

Langmuir, 2016-01, Vol.32 (1), p.125-134

2016

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Influence of specific intermolecular interactions on the thermal and dielectric properties of bulk polymers: atomistic molecular dynamics simulations of Nylon 6

Soft matter, 2017, Vol.13 (2), p.474-485

2017

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Interactions Binding Mineral and Organic Phases in Nanocomposites Based on Bacterial Cellulose and Calcium Phosphates

Langmuir, 2012-09, Vol.28 (37), p.13473-13484

2012

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Structure of polymer–acid complexes in solution and crystal-solvate phases of rigid-rod heterocyclic polymer - poly(p-phenylene benzobisoxasole)

Polymer (Guilford), 2011-03, Vol.52 (6), p.1458-1468

Lukasheva, N.V.

2011

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Molecular dynamics simulations of oligoester brushes: the origin of unusual conformations

Soft matter, 2017-09, Vol.13 (37), p.6627-6638

2017

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Combined Use of Atomic Force Microscopy and Molecular Dynamics in the Study of Biopolymer Systems

Polymer science. Series C, 2021-09, Vol.63 (2), p.256-271

2021

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Packing of molecules of poly-p-phenylenebenzo-bis-oxazole in crystalline structures: Calculation by the molecular mechanics method

Polymer Science. Series A, 2009-04, Vol.51 (4), p.446-458

2009

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Study of the process of mineralization of nanofibrils of native bacterial cellulose in solutions of mineral ions: Modeling via the method of molecular dynamics

Polymer Science. Series A, 2014-07, Vol.56 (4), p.545-557

2014

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Interaction between nanosized crystalline components of a composite based on Acetobacter xylinum cellulose and calcium phosphates

Polymer Science. Series A, 2010-04, Vol.52 (4), p.419-429

2010

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Evaluation of the characteristic equilibration times of bulk polyimides via full-atomic computer simulation

Polymer Science. Series A, 2013-09, Vol.55 (9), p.570-576

2013

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Effect of the SO2 group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties

Polymer Science. Series A, 2012-08, Vol.54 (8), p.631-643

2012

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Nanotextures of composites based on the interaction between hydroxyapatite and cellulose Gluconacetobacter xylinus

Glass physics and chemistry, 2014-05, Vol.40 (3), p.367-374

2014

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Synthesis of new aramid fiber

Polymer Science. Series A, 2010-11, Vol.52 (11), p.1239-1243

2010

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Influence of protonation on the conformations of rigid-chain polymers

Polymer Science. Series A, 2007-02, Vol.49 (2), p.168-175

2007

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Molecular dynamics simulations of oligoester brushes: the origin of unusual conformationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7sm01419h

2017-09

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Conformational variability of helix sense reversals in poly(methyl isocyanate)

Polymer (Guilford), 2002-02, Vol.43 (4), p.1527-1532

2002

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Effect of the SO sub(2) group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties

Polymer science. Series A, Chemistry, physics, 2012-08, Vol.54 (8), p.631-643

2012

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Synthesis of New Aramid Fiber

Polymer science. Series A, Chemistry, physics, 2010, Vol.52 (11), p.1239-1243

2010

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A model of supermolecular structure of stiff-chain polyimide copolymers and composites

Polymer science USSR, 1990, Vol.32 (5), p.1040-1046

1990

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Ordered structure of poly(p-hydroxybenzoic acid). II: Low-energy chain-packing structures

Macromolecules, 1996, Vol.29 (4), p.1286-1295

1996

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Investigation of the role of the pyrimidine ring in the main chain of polyamido acids and polyimides. 1. Supermolecular structure of polypyromellitimides based on 2,5-bis(p-aminophenyl)pyrimidine and its carbocyclic analog 4,4?-diaminoterphenyl

Bulletin of the Russian Academy of Sciences Division of Chemical Science, 1992-10, Vol.41 (10), p.1790-1796

1992

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Torsional Vibrations of Ester Groups as a Mechanism of Dielectric Relaxation of Poly(p-hydroxybenzoic Acid)

Macromolecules, 2000-01, Vol.33 (2), p.606-612

2000

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Ordered structures of poly(p-hydroxybenzoic acid). I: Nonbonded interactions in layers of phenyl rings orthogonal to the chain axis

Macromolecules, 1994, Vol.27 (17), p.4726-4732

1994

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Viscosity properties of high-molecular poly-p-phenylene terephthalamide

Fibre chemistry, 1980, Vol.11 (6), p.461-463

1980

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Overbinding and Qualitative and Quantitative Changes Caused by Simple Na+ and K+ Ions in Polyelectrolyte Simulations: Comparison of Force Fields with and without NBFIX and ECC Corrections

Cellulose Nanofibrils and Mechanism of their Mineralization in Biomimetic Synthesis of Hydroxyapatite/Native Bacterial Cellulose Nanocomposites: Molecular Dynamics Simulations

Influence of specific intermolecular interactions on the thermal and dielectric properties of bulk polymers: atomistic molecular dynamics simulations of Nylon 6

Interactions Binding Mineral and Organic Phases in Nanocomposites Based on Bacterial Cellulose and Calcium Phosphates

Structure of polymer–acid complexes in solution and crystal-solvate phases of rigid-rod heterocyclic polymer - poly(p-phenylene benzobisoxasole)

Molecular dynamics simulations of oligoester brushes: the origin of unusual conformations

Combined Use of Atomic Force Microscopy and Molecular Dynamics in the Study of Biopolymer Systems

Packing of molecules of poly-p-phenylenebenzo-bis-oxazole in crystalline structures: Calculation by the molecular mechanics method

Study of the process of mineralization of nanofibrils of native bacterial cellulose in solutions of mineral ions: Modeling via the method of molecular dynamics

Interaction between nanosized crystalline components of a composite based on Acetobacter xylinum cellulose and calcium phosphates

Evaluation of the characteristic equilibration times of bulk polyimides via full-atomic computer simulation

Effect of the SO2 group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties

Nanotextures of composites based on the interaction between hydroxyapatite and cellulose Gluconacetobacter xylinus

Synthesis of new aramid fiber

Influence of protonation on the conformations of rigid-chain polymers

Molecular dynamics simulations of oligoester brushes: the origin of unusual conformationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7sm01419h

Conformational variability of helix sense reversals in poly(methyl isocyanate)

Effect of the SO sub(2) group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties

Synthesis of New Aramid Fiber

A model of supermolecular structure of stiff-chain polyimide copolymers and composites

Ordered structure of poly(p-hydroxybenzoic acid). II: Low-energy chain-packing structures

Investigation of the role of the pyrimidine ring in the main chain of polyamido acids and polyimides. 1. Supermolecular structure of polypyromellitimides based on 2,5-bis(p-aminophenyl)pyrimidine and its carbocyclic analog 4,4?-diaminoterphenyl

Torsional Vibrations of Ester Groups as a Mechanism of Dielectric Relaxation of Poly(p-hydroxybenzoic Acid)

Ordered structures of poly(p-hydroxybenzoic acid). I: Nonbonded interactions in layers of phenyl rings orthogonal to the chain axis

Viscosity properties of high-molecular poly-p-phenylene terephthalamide

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