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Structure and properties of the low-energy deposited TiO 2 thin films: results of the molecular dynamics simulation

Journal of physics. Conference series, 2021-11, Vol.2015 (1), p.12051

2021

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Atomistic simulation of the glancing angle deposition of SiO2 thin films

Journal of non-crystalline solids, 2019-05, Vol.512, p.98-102

2019

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Density functional modeling of structural and electronic properties of amorphous high temperature oxides

Journal of non-crystalline solids, 2022-02, Vol.578, p.121170, Article 121170

2022

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Docking and other computing tools in drug design against SARS-CoV-2

SAR and QSAR in environmental research, 2024-02, Vol.35 (2), p.91-136

2024

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Full-atomistic nanoscale modeling of the ion beam sputtering deposition of SiO2 thin films

Journal of non-crystalline solids, 2016-09, Vol.448, p.1-5

2016

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Structure and properties of the low-energy deposited TiO2 thin films: results of the molecular dynamics simulation

Journal of physics. Conference series, 2021, Vol.2015 (1)

2021

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Application of a large-scale molecular dynamics approach to modelling the deposition of TiO2 thin films

Computational materials science, 2021-02, Vol.188, p.110202, Article 110202

2021

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Short-range combined water model

Journal of molecular graphics & modelling, 2019-05, Vol.88, p.160-167

2019

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Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7

Advances in Bioinformatics, 2017, Vol.2017, p.7167691-6

2017

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Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding

Journal of molecular graphics & modelling, 2017-03, Vol.72, p.70-80

2017

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Stress distribution in highly porous SiO2 films: results of the molecular dynamics simulation

IOP conference series. Materials Science and Engineering, 2020-08, Vol.904 (1), p.12004

2020

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Annealing of deposited SiO_2 thin films: full-atomistic simulation results

Optical materials express, 2016-12, Vol.6 (12), p.3960

2016

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Docking with combined use of a force field and a quantum-chemical method

Biomeditsinskaia khimiia, 2019-02, Vol.65 (2), p.80

2019

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Structure of Highly Porous Silicon Dioxide Thin Film: Results of Atomistic Simulation

Coatings (Basel), 2019-09, Vol.9 (9), p.568

2019

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Optical properties of the Bi+ center in KAlCl4

Journal of luminescence, 2014-07, Vol.151, p.247-255

2014

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Threefold coordinated oxygen atom in silica glass

Journal of non-crystalline solids, 1997-09, Vol.217 (2), p.167-172

1997

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Supercomputer investigation of the protein-ligand system low-energy minima

Biomeditsinskaia khimiia, 2015-11, Vol.61 (6), p.712

2015

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Molecular Modeling as a New Approach to the Development of Urokinase Inhibitors

Bulletin of experimental biology and medicine, 2015-03, Vol.158 (5), p.700-704

2015

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Role of oxygen hole centres in the photodarkening of ytterbium-doped phosphosilicate fibre

Quantum electronics (Woodbury, N.Y.), 2013-01, Vol.43 (11), p.1037-1042

2013

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Semiempirical calculations of point defects in silica. Oxygen vacancy and twofold coordinated silicon atom

Journal of non-crystalline solids, 1992-10, Vol.149 (1), p.5-18

1992

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Genome-Wide Analysis of Genetic Associations for Prediction of Polygenic Hypercholesterolemia with Bayesian Networks

Journal of Computational and Engineering Mathematics, 2015, Vol.2 (4), p.11-26

2015

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Modelling of point defects in monoclinic zirconia

Journal of non-crystalline solids, 2002-05, Vol.303 (1), p.101-107

2002

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Cluster modeling of the neutral oxygen vacancy in pure silicon dioxide

Journal of non-crystalline solids, 1995-12, Vol.191 (3), p.260-280

1995

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Embedding techniques for irradiation-induced defects in crystalline SiO/sub 2

IEEE transactions on nuclear science, 2002-06, Vol.49 (3), p.1383-1388

2002

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UV irradiation-induced structural transformation in phosphosilicate glass

Journal of non-crystalline solids, 1999-07, Vol.249 (1), p.29-40

1999

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Structure and properties of the low-energy deposited TiO 2 thin films: results of the molecular dynamics simulation

Atomistic simulation of the glancing angle deposition of SiO2 thin films

Density functional modeling of structural and electronic properties of amorphous high temperature oxides

Docking and other computing tools in drug design against SARS-CoV-2

Full-atomistic nanoscale modeling of the ion beam sputtering deposition of SiO2 thin films

Structure and properties of the low-energy deposited TiO2 thin films: results of the molecular dynamics simulation

Application of a large-scale molecular dynamics approach to modelling the deposition of TiO2 thin films

Short-range combined water model

Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7

Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding

Stress distribution in highly porous SiO2 films: results of the molecular dynamics simulation

Annealing of deposited SiO_2 thin films: full-atomistic simulation results

Docking with combined use of a force field and a quantum-chemical method

Structure of Highly Porous Silicon Dioxide Thin Film: Results of Atomistic Simulation

Optical properties of the Bi+ center in KAlCl4

Threefold coordinated oxygen atom in silica glass

Supercomputer investigation of the protein-ligand system low-energy minima

Molecular Modeling as a New Approach to the Development of Urokinase Inhibitors

Role of oxygen hole centres in the photodarkening of ytterbium-doped phosphosilicate fibre

Semiempirical calculations of point defects in silica. Oxygen vacancy and twofold coordinated silicon atom

Genome-Wide Analysis of Genetic Associations for Prediction of Polygenic Hypercholesterolemia with Bayesian Networks

Modelling of point defects in monoclinic zirconia

Cluster modeling of the neutral oxygen vacancy in pure silicon dioxide

Embedding techniques for irradiation-induced defects in crystalline SiO/sub 2

UV irradiation-induced structural transformation in phosphosilicate glass

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