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International Journal of Molecular Sciences
|
December 10, 2021
Bifunctional Inhibitors of Influenza Virus Neuraminidase: Molecular Design of a Sulfonamide Linker
Sergei Evteev, Dmitry Nilov, Aleksandra Polenova, et al.
Molecular Diversity
|
March 26, 2026
Integrating modern computational techniques elevates binding mode identification for molecular fragments
Sergei Evteev, Fedor Sizov, Anna Pastukhova, et al.
Proteins
|
February 28, 2025
Skittles: GNN-Assisted Pseudo-Ligands Generation and Its Application for Binding Sites Classification and Affinity Prediction
Sergei Evteev, Alexey Ereshchenko, Denis Adjugim, et al.
Journal of Computer-Aided Molecular Design
|
September 26, 2025
Enhancing accuracy of virtual kinase profiling via application of graph neural network to 3D pharmacophore ensembles
Alexey Ereshchenko, Sergei Evteev, Alexander Malyshev, et al.
ACS Medicinal Chemistry Letters
|
July 19, 2023
The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry
Yan Ivanenkov, Bogdan Zagribelnyy, Alex Malyshev, et al.
Proteins
|
September 16, 2025
AlphaFold Kinase Optimizer: Enhancing Virtual Screening Performance Through Automated Refinement of AlphaFold-Based Kinase Structures
Sergei Evteev, Yan Ivanenkov, Andrew Aiginin, et al.
Frontiers in Chemistry
|
April 18, 2024
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an <i>in vitro</i> study
Sergei Evteev, Yan Ivanenkov, Ivan Semenov, et al.
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Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
International Journal of Molecular Sciences
|
December 10, 2021
Bifunctional Inhibitors of Influenza Virus Neuraminidase: Molecular Design of a Sulfonamide Linker
Sergei Evteev, Dmitry Nilov, Aleksandra Polenova, et al.
Molecular Diversity
|
March 26, 2026
Integrating modern computational techniques elevates binding mode identification for molecular fragments
Sergei Evteev, Fedor Sizov, Anna Pastukhova, et al.
Proteins
|
February 28, 2025
Skittles: GNN-Assisted Pseudo-Ligands Generation and Its Application for Binding Sites Classification and Affinity Prediction
Sergei Evteev, Alexey Ereshchenko, Denis Adjugim, et al.
Journal of Computer-Aided Molecular Design
|
September 26, 2025
Enhancing accuracy of virtual kinase profiling via application of graph neural network to 3D pharmacophore ensembles
Alexey Ereshchenko, Sergei Evteev, Alexander Malyshev, et al.
ACS Medicinal Chemistry Letters
|
July 19, 2023
The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry
Yan Ivanenkov, Bogdan Zagribelnyy, Alex Malyshev, et al.
Proteins
|
September 16, 2025
AlphaFold Kinase Optimizer: Enhancing Virtual Screening Performance Through Automated Refinement of AlphaFold-Based Kinase Structures
Sergei Evteev, Yan Ivanenkov, Andrew Aiginin, et al.
Frontiers in Chemistry
|
April 18, 2024
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an <i>in vitro</i> study
Sergei Evteev, Yan Ivanenkov, Ivan Semenov, et al.
Page
of 1