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International Journal of Molecular Sciences
|
February 10, 2024
The Role of Bond Functions in Describing Intermolecular Electron Correlation for Van der Waals Dimers: A Study of (CH<sub>4</sub>)<sub>2</sub> and Ne<sub>2</sub>
Bogdan Rutskoy, Georgiy Ozerov, Dmitry Bezrukov
Drug Discovery Today
|
June 18, 2023
Quantum computing for near-term applications in generative chemistry and drug discovery
Alexey Pyrkov, Alex Aliper, Dmitry Bezrukov, et al.
Journal of Chemical Information and Modeling
|
February 2, 2023
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Yan A Ivanenkov, Daniil Polykovskiy, Dmitry Bezrukov, 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.
Nature Biotechnology
|
January 22, 2025
Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors
Mohammad Ghazi Vakili, Christoph Gorgulla, Jamie Snider, 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
|
February 10, 2024
The Role of Bond Functions in Describing Intermolecular Electron Correlation for Van der Waals Dimers: A Study of (CH<sub>4</sub>)<sub>2</sub> and Ne<sub>2</sub>
Bogdan Rutskoy, Georgiy Ozerov, Dmitry Bezrukov
Drug Discovery Today
|
June 18, 2023
Quantum computing for near-term applications in generative chemistry and drug discovery
Alexey Pyrkov, Alex Aliper, Dmitry Bezrukov, et al.
Journal of Chemical Information and Modeling
|
February 2, 2023
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Yan A Ivanenkov, Daniil Polykovskiy, Dmitry Bezrukov, 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.
Nature Biotechnology
|
January 22, 2025
Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors
Mohammad Ghazi Vakili, Christoph Gorgulla, Jamie Snider, et al.
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of 1