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Advances in Docking

Current medicinal chemistry, 2019-01, Vol.26 (42), p.7555

2019

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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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Docking Paradigm in Drug Design

Current topics in medicinal chemistry, 2021-01, Vol.21 (6), p.507

2021

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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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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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Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

Molecules (Basel, Switzerland), 2024-01, Vol.29 (2), p.373

2024

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New Hybrid Tetrahydropyrrolo[3,2,1- ij ]quinolin-1-ylidene-2-thioxothiazolidin-4-ones as New Inhibitors of Factor Xa and Factor XIa: Design, Synthesis, and In Silico and Experimental Evaluation

Molecules (Basel, Switzerland), 2023-05, Vol.28 (9), p.3851

2023

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Atomistic Simulation of the Ion-Assisted Deposition of Silicon Dioxide Thin Films

Nanomaterials (Basel, Switzerland), 2022-09, Vol.12 (18), p.3242

2022

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Silicon Dioxide Thin Films Deposited Using Oxide Targets: Results of Atomistic Simulation

Coatings (Basel), 2024-03, Vol.14 (3), p.258

2024

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Supercomputer Search for the New Inhibitors of the Coagulation Factor XIIa

Lobachevskii journal of mathematics, 2022, Vol.43 (4), p.895-903

2022

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High-temperature stability of long-period fiber gratings produced using an electric arc

Journal of lightwave technology, 2001-10, Vol.19 (10), p.1574-1579

2001

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High-performance atomistic modeling of optical thin films deposited by energetic processes

The international journal of high performance computing applications, 2015-05, Vol.29 (2), p.184-192

2015

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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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Supercomputing, Docking and Quantum Mechanics in Quest for Inhibitors of Papain-like Protease of SARS-CoV-2

Lobachevskii journal of mathematics, 2021-07, Vol.42 (7), p.1571-1579

2021

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Generation of Amorphous Silicon Dioxide Structures via Melting-Quenching Density Functional Modeling

Lobachevskii journal of mathematics, 2020-08, Vol.41 (8), p.1581-1590

2020

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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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Supercomputer docking with a large number of degrees of freedom

SAR and QSAR in environmental research, 2019-10, Vol.30 (10), p.733-749

2019

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Jacobi stability and updating parameters of dynamical systems using hybrid algorithms

IOP conference series. Materials Science and Engineering, 2018-12, Vol.468 (1), p.12040

2018

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Low-melting phthalonitrile thermosetting monomers with siloxane- and phosphate bridges

European polymer journal, 2016-11, Vol.84, p.205-217

2016

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Stresses in Silicon Dioxide Films Deposited from Dielectric Targets: Results of Atomistic Modelling

Moscow University physics bulletin, 2024-02, Vol.79 (1), p.52-57

2024

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Comparison of COSMO Water Models in Quantum Quasi-Docking

Physics of wave phenomena, 2024-06, Vol.32 (3), p.196-202

2024

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Large-Scale Atomistic Simulation of the Structure of ZnO Films

Lobachevskii journal of mathematics, 2023-08, Vol.44 (8), p.3068-3075

2023

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Anisotropy of glancing angle deposited films: results of atomistic simulation

Journal of physics. Conference series, 2021-01, Vol.1730 (1), p.12032

2021

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Search for approaches to improving the calculation accuracy of the protein—ligand binding energy by docking

Russian chemical bulletin, 2017-10, Vol.66 (10), p.1913-1924

2017

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Prediction of features of the course of chronic hepatitis C using Bayesian networks

Terapevtic̆eskii arhiv, 2019-03, Vol.91 (2), p.32

2019

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Advances in Docking

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

Docking Paradigm in Drug Design

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

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

Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

New Hybrid Tetrahydropyrrolo[3,2,1- ij ]quinolin-1-ylidene-2-thioxothiazolidin-4-ones as New Inhibitors of Factor Xa and Factor XIa: Design, Synthesis, and In Silico and Experimental Evaluation

Atomistic Simulation of the Ion-Assisted Deposition of Silicon Dioxide Thin Films

Silicon Dioxide Thin Films Deposited Using Oxide Targets: Results of Atomistic Simulation

Supercomputer Search for the New Inhibitors of the Coagulation Factor XIIa

High-temperature stability of long-period fiber gratings produced using an electric arc

High-performance atomistic modeling of optical thin films deposited by energetic processes

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

Supercomputing, Docking and Quantum Mechanics in Quest for Inhibitors of Papain-like Protease of SARS-CoV-2

Generation of Amorphous Silicon Dioxide Structures via Melting-Quenching Density Functional Modeling

Short-range combined water model

Supercomputer docking with a large number of degrees of freedom

Jacobi stability and updating parameters of dynamical systems using hybrid algorithms

Low-melting phthalonitrile thermosetting monomers with siloxane- and phosphate bridges

Stresses in Silicon Dioxide Films Deposited from Dielectric Targets: Results of Atomistic Modelling

Comparison of COSMO Water Models in Quantum Quasi-Docking

Large-Scale Atomistic Simulation of the Structure of ZnO Films

Anisotropy of glancing angle deposited films: results of atomistic simulation

Search for approaches to improving the calculation accuracy of the protein—ligand binding energy by docking

Prediction of features of the course of chronic hepatitis C using Bayesian networks

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