Sergey Shityakov

Lomonosova Street 9
Saint Petersburg, SPE 191002, Russian Federation

Last Updated: 09/26/2026

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Found 116 publications

Siteomix: a PyMOL plugin for the detection, alignment, and similarity analysis of protein‒ligand binding sites.

Siteomix: a PyMOL plugin for the detection, alignment, and similarity analysis of protein‒ligand binding sites.

Journal: Journal of computer-aided molecular design
Published: June 09, 2026

Beyond the flat screen: evaluating virtual reality as a complementary tool for molecular docking in drug discovery.

Beyond the flat screen: evaluating virtual reality as a complementary tool for molecular docking in drug discovery.

Journal: Journal of computer-aided molecular design
Published: June 02, 2026

Wine chemistry and language bottleneck hypothesis: insights from large language models.

Wine chemistry and language bottleneck hypothesis: insights from large language models.

Journal: RSC advances
Published: May 29, 2026

Classical substructure search versus LLM-assisted keyword retrieval in SciFinder: A case study on GABAB1 ligand discovery using a phenibut scaffold.

Classical substructure search versus LLM-assisted keyword retrieval in SciFinder: A case study on GABAB1 ligand discovery using a phenibut scaffold.

Journal: Computational biology and chemistry
Published: May 16, 2026

Structural basis for Kisspeptin-10 selectivity toward KISS1R: computational insights.

Structural basis for Kisspeptin-10 selectivity toward KISS1R: computational insights.

Journal: In silico pharmacology
Published: February 04, 2026

Computational Investigation of Novel pUL56 Ligands Using Docking and Molecular Dynamics with Preliminary Cytotoxicity Evaluation: An Early-Stage Study.

Computational Investigation of Novel pUL56 Ligands Using Docking and Molecular Dynamics with Preliminary Cytotoxicity Evaluation: An Early-Stage Study.

Journal: Molecules (Basel, Switzerland)
Published: February 02, 2026

Computational analysis of umami and bitter taste interactions: orthogonality in receptor-ligand binding.

Computational analysis of umami and bitter taste interactions: orthogonality in receptor-ligand binding.

Journal: RSC advances
Published: January 08, 2026

Retraction notice to "Social, ethical, environmental, economic and technological aspects of rabbit meat production - A critical review" [Heliyon 10 (2024) e29635].

Retraction notice to "Social, ethical, environmental, economic and technological aspects of rabbit meat production - A critical review" [Heliyon 10 (2024) e29635].

Journal: Heliyon
Published: January 07, 2026

A Possible Role for the Vagus Nerve in Physical and Mental Health.

A Possible Role for the Vagus Nerve in Physical and Mental Health.

Journal: Biomolecules
Published: November 25, 2025

Entangled fingerprints for quantum-encoded chemoinformatics: quantum circuits for molecular similarity in the noisy era.

Entangled fingerprints for quantum-encoded chemoinformatics: quantum circuits for molecular similarity in the noisy era.

Journal: Frontiers in chemistry
Published: September 17, 2025

Strategies for Improved Docosahexaenoic Acid Synthesis in Microalgae.

Strategies for Improved Docosahexaenoic Acid Synthesis in Microalgae.

Journal: ACS synthetic biology
Published: September 15, 2025

hnRNP A2B1 as a promising therapeutic target for radiomodulatory drug development: evidence from computational and experimental studies.

hnRNP A2B1 as a promising therapeutic target for radiomodulatory drug development: evidence from computational and experimental studies.

Journal: Frontiers in pharmacology
Published: September 13, 2025
Showing 1-12 of 116

Last Updated: 09/26/2026