Ekaterina V. Skorb

Lomonosova Street 9
Saint Petersburg, SPE 191002, Russian Federation

Last Updated: 09/26/2026

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Found 119 publications

Molecular Mechanisms of Basil (Ocimum basilicum L.) Polyphenol Extracts as Bio-Based Cryoprotectants for Streptococcus thermophilus: Chemical Profiling, DFT, Molecular Dynamics and Cell Viability.

Molecular Mechanisms of Basil (Ocimum basilicum L.) Polyphenol Extracts as Bio-Based Cryoprotectants for Streptococcus thermophilus: Chemical Profiling, DFT, Molecular Dynamics and Cell Viability.

Journal: Molecules (Basel, Switzerland)
Published: June 14, 2026

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

Antibacterial effect of chlorogenic acid against Escherichia coli and Lactiplantibacillus plantarum: experimental and molecular dynamic study.

Antibacterial effect of chlorogenic acid against Escherichia coli and Lactiplantibacillus plantarum: experimental and molecular dynamic study.

Journal: World journal of microbiology & biotechnology
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

Thermal Tightrope: Trajectory Dynamics of Levitating Droplet Clusters under Variable Temperature Conditions.

Thermal Tightrope: Trajectory Dynamics of Levitating Droplet Clusters under Variable Temperature Conditions.

Journal: Langmuir : the ACS journal of surfaces and colloids
Published: May 17, 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

Hydrogen Transfer-Driven Photocatalysis in a Hydrogen-Bonded Melamine-Barbiturate Assembly.

Hydrogen Transfer-Driven Photocatalysis in a Hydrogen-Bonded Melamine-Barbiturate Assembly.

Journal: The journal of physical chemistry. A
Published: March 19, 2026

Comparative Binding Analysis by Computational Methods and Quartz Crystal Microbalance: Case of hnRNPA2B1 Protein and Irinotecan Drug.

Comparative Binding Analysis by Computational Methods and Quartz Crystal Microbalance: Case of hnRNPA2B1 Protein and Irinotecan Drug.

Journal: Journal of chemical information and modeling
Published: February 23, 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
Showing 1-12 of 119

Last Updated: 09/26/2026