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Oleg Kalugin

Director

Ukraine

Research Interests

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Professors in Pharmaceutical Chemistry

Articles (12)

Year:

2026

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2026

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2026

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2025

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2025

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2025

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2025

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2025

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2025

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2025

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2025

Year:

2021

Collaborators (4)

Anna Geleverya

University of Chemistry and Technology, Prague

CZECH REPUBLIC

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Toshiyuki Takamuku

Saga University

JAPAN

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Kateryna Goloviznina

CNRS researcher

CNRS

FRANCE

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Ludwik Adamowicz

Professor

University of Arizona

UNITED STATES

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Oleg Kalugin

Research Interests

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Articles (12)

Dual SARS-COV-2 Mpro and PLpro inhibitors based on an 8-((phenylamino)methyl)-[1,4]dioxinoquinolin-7-one scaffold

From ML300 to Novel Non-covalent Inhibitors of SARS-CoV-2 Main Protease via Evolutionary De Novo Design, Virtual Screening, Molecular Dynamics, and Retrosynthetic Strategies

Hydrogen bond interactions of coumarin-153 in molecular solvents: molecular dynamics and principal component analysis

Ecological optimization of synthesis routes for a new non covalent inhibitor of SARS CoV 2 main protease as a promising active pharmaceutical ingredient

Targeted structural design of molecular scaffolds for dual-action peptidomimetic inhibitors against SARS-CoV-2 MPRO and PLPRO

Benchmarking biomolecular force fields for molecular dynamics simulations of native fold and enzymatic activity of SARS-CoV-2 papain-like protease

Data-driven discovery of functional materials: LARS-LASSO logistic regression for QSAR/QSPR design of compounds with anti-COVID-19 and other activities

Design, structural optimization, and synthesis of dual SARS-CoV-2 mpro and plpro inhibitors based on an 8-((phenylamino)methyl)-[1,4]dioxinoquinolin-7-one scaffold

Native Folding Stability of the Main Protease of Coronavirus SARS-CoV-2 on a Gold Surface

Synthesis, spectral properties and TD-DFT calculations of fluorescent mono and diphenyl substituted coumarin-3-carboxylic acids and their ethyl esters

Towards the computational design of organic molecules with specified properties

Quantum-chemical calculations of electronic spectra absorption: ab initio or semiempirical methods?

Collaborators (4)

Anna Geleverya

Toshiyuki Takamuku

Kateryna Goloviznina

Ludwik Adamowicz

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