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Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

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Testimonials Subscriptions Access Resources Library Advisory Board FAQ

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JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

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Anna Pastukhova

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Molecular Diversity|March 26, 2026

Integrating modern computational techniques elevates binding mode identification for molecular fragmentsSergei 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 PredictionSergei 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 ensemblesAlexey Ereshchenko, Sergei Evteev, Alexander Malyshev, et al.

Pageof 1

Search research articles

Showing results (1-10 of 3) with videos related to

Sort By:

Pageof 1

Molecular Diversity|March 26, 2026

Integrating modern computational techniques elevates binding mode identification for molecular fragmentsSergei 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 PredictionSergei 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 ensemblesAlexey Ereshchenko, Sergei Evteev, Alexander Malyshev, et al.

Pageof 1