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Grid-Based Technologies for In Silico Screening and Drug Design

Current medicinal chemistry, 2018-01, Vol.25 (29), p.3526-3537

2018

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Internet Resources for Drug Discovery and Design

Current topics in medicinal chemistry, 2018-01, Vol.18 (22), p.1955-1975

2018

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ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions

Journal of chemical information and modeling, 2012-08, Vol.52 (8), p.2310-2316

2012

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The design of compounds with desirable properties – The anti‐HIV case study

Journal of computational chemistry, 2023-04, Vol.44 (10), p.1016-1030

2023

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A new glimpse on the active site of SARS-CoV-2 3CLpro, coupled with drug repurposing study

Molecular diversity, 2022-10, Vol.26 (5), p.2631-2645

2022

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Quantifying the actual sediment load flux into Lake Baikal: A case study of the main tributary – The Selenga River (Russia)

International journal of sediment research, 2022-04, Vol.37 (2), p.238-247

2022

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Electron Density Analysis of SARS-CoV-2 RNA-Dependent RNA Polymerase Complexes

Molecules (Basel, Switzerland), 2021-06, Vol.26 (13), p.3960

2021

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Complementarity principle in terms of electron density for the study of EGFR complexes

Future medicinal chemistry, 2021-05, Vol.13 (10), p.863-875

2021

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Electron density analysis of CDK complexes using the AlteQ method

Future medicinal chemistry, 2020-08, Vol.12 (15), p.1387-1397

2020

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The Complementarity Principle—One More Step towards Analytical Docking on the Example of Dihydrofolate Reductase Complexes

Life (Basel, Switzerland), 2021-09, Vol.11 (9), p.983

2021

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Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database

Future medicinal chemistry, 2021-02, Vol.13 (4), p.363-378

2021

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Nonparametric chemical descriptors for the calculation of ligand-biopolymer affinities with machine-learning scoring functions

Journal of computer-aided molecular design, 2019-11, Vol.33 (11), p.943-953

2019

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Grid-based Continual Analysis of Molecular Interior for Drug Discovery, QSAR and QSPR

Current drug discovery technologies, 2017, Vol.14 (3), p.181

2017

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Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease

Future medicinal chemistry, 2020-02, Vol.12 (4), p.299-309

2020

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Ozone Monitoring in the Baikal Region (East Siberia): Spatiotemporal Variability under the Influence of Air Pollutants and Site Conditions

Atmosphere, 2022-04, Vol.13 (4), p.519

2022

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Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (24), p.13547-13563

2022

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The Influence of Hydrogen Atoms on the Performance of Radial Distribution Function-Based Descriptors in the Chemoinformatic Studies of HIV-1 Protease Complexes with Inhibitors

Current drug discovery technologies, 2021, Vol.18 (3), p.414-422

2021

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Novel radial distribution function approach in the study of point mutations: the HIV-1 protease case study

Future medicinal chemistry, 2020-06, Vol.12 (11), p.1025-1036

2020

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Unusual Synthesis of Triosmium Carbene Clusters by Tandem Activation of Chlorohydrocarbons and Heterocyclic Amines

European journal of inorganic chemistry, 2021-03, Vol.2021 (10), p.989-996

2021

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Topological Analysis of Electron Density in Large Biomolecular Systems

Current drug discovery technologies, 2019, Vol.16 (4), p.437-448

2019

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Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study

Bioimpacts, 2023, Vol.13 (5), p.373-382

2023

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Study of Aerosol Nano- and Submicron Particle Compositions in the Atmosphere of Lake Baikal During Natural Fire Events and Their Interaction with Water Surface

Water, air, and soil pollution, 2021-07, Vol.232 (7), Article 266

2021

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Variability of Chemical Properties of the Atmospheric Aerosol above Lake Baikal during Large Wildfires in Siberia

Atmosphere, 2020-11, Vol.11 (11), p.1230

2020

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Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches

PeerJ (San Francisco, CA), 2022-06, Vol.10, p.e13374, Article e13374

2022

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A novel compound active against SARS-CoV-2 targeting uridylate-specific endoribonuclease (NendoU/NSP15): in silico and in vitro investigations

RSC medicinal chemistry, 2021-10, Vol.12 (10), p.1757-1764

2021

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Grid-Based Technologies for In Silico Screening and Drug Design

Internet Resources for Drug Discovery and Design

ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions

The design of compounds with desirable properties – The anti‐HIV case study

A new glimpse on the active site of SARS-CoV-2 3CLpro, coupled with drug repurposing study

Quantifying the actual sediment load flux into Lake Baikal: A case study of the main tributary – The Selenga River (Russia)

Electron Density Analysis of SARS-CoV-2 RNA-Dependent RNA Polymerase Complexes

Complementarity principle in terms of electron density for the study of EGFR complexes

Electron density analysis of CDK complexes using the AlteQ method

The Complementarity Principle—One More Step towards Analytical Docking on the Example of Dihydrofolate Reductase Complexes

Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database

Nonparametric chemical descriptors for the calculation of ligand-biopolymer affinities with machine-learning scoring functions

Grid-based Continual Analysis of Molecular Interior for Drug Discovery, QSAR and QSPR

Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease

Ozone Monitoring in the Baikal Region (East Siberia): Spatiotemporal Variability under the Influence of Air Pollutants and Site Conditions

Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking

The Influence of Hydrogen Atoms on the Performance of Radial Distribution Function-Based Descriptors in the Chemoinformatic Studies of HIV-1 Protease Complexes with Inhibitors

Novel radial distribution function approach in the study of point mutations: the HIV-1 protease case study

Unusual Synthesis of Triosmium Carbene Clusters by Tandem Activation of Chlorohydrocarbons and Heterocyclic Amines

Topological Analysis of Electron Density in Large Biomolecular Systems

Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study

Study of Aerosol Nano- and Submicron Particle Compositions in the Atmosphere of Lake Baikal During Natural Fire Events and Their Interaction with Water Surface

Variability of Chemical Properties of the Atmospheric Aerosol above Lake Baikal during Large Wildfires in Siberia

Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches

A novel compound active against SARS-CoV-2 targeting uridylate-specific endoribonuclease (NendoU/NSP15): in silico and in vitro investigations

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