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Ilya S Steshin

Showing results (1-10 of 6) with videos related to

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Physical Chemistry Chemical Physics : PCCP|August 26, 2025
Parametrization of Gaussian approximation potential for the global optimization of magnesium clusters Mg<sub><i>N</i></sub> (<i>N</i> ≤ 100)Ilya S Steshin, Sergey V Panteleev, Igor V Petukhov, et al.
Current Neuropharmacology|March 15, 2026
Decoding the Blood-Brain Barrier: Innovative and Scalable Open-Source Machine Learning Model for Drug PermeabilityAnastasiia M Isakova, Dmitrii O Shkil, Ilya S Steshin, et al.
Molecules (Basel, Switzerland)|April 27, 2024
Expanding Predictive Capacities in Toxicology: Insights from Hackathon-Enhanced Data and Model AggregationDmitrii O Shkil, Alina A Muhamedzhanova, Philipp I Petrov, et al.
International Journal of Molecular Sciences|January 23, 2024
Free Energy Barriers for Passive Drug Transport through the <i>Mycobacterium tuberculosis</i> Outer Membrane: A Molecular Dynamics StudyIlya S Steshin, Alexander V Vasyankin, Ekaterina A Shirokova, et al.
Molecules (Basel, Switzerland)|February 10, 2024
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the <i>Mycobacterium tuberculosis</i> Outer Membrane: A Molecular Dynamics StudyAlexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, et al.
Molecules (Basel, Switzerland)|February 11, 2023
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the <i>Mycobacterium tuberculosis</i> Outer MembraneLiana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|August 26, 2025
Parametrization of Gaussian approximation potential for the global optimization of magnesium clusters Mg<sub><i>N</i></sub> (<i>N</i> ≤ 100)Ilya S Steshin, Sergey V Panteleev, Igor V Petukhov, et al.
Current Neuropharmacology|March 15, 2026
Decoding the Blood-Brain Barrier: Innovative and Scalable Open-Source Machine Learning Model for Drug PermeabilityAnastasiia M Isakova, Dmitrii O Shkil, Ilya S Steshin, et al.
Molecules (Basel, Switzerland)|April 27, 2024
Expanding Predictive Capacities in Toxicology: Insights from Hackathon-Enhanced Data and Model AggregationDmitrii O Shkil, Alina A Muhamedzhanova, Philipp I Petrov, et al.
International Journal of Molecular Sciences|January 23, 2024
Free Energy Barriers for Passive Drug Transport through the <i>Mycobacterium tuberculosis</i> Outer Membrane: A Molecular Dynamics StudyIlya S Steshin, Alexander V Vasyankin, Ekaterina A Shirokova, et al.
Molecules (Basel, Switzerland)|February 10, 2024
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the <i>Mycobacterium tuberculosis</i> Outer Membrane: A Molecular Dynamics StudyAlexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, et al.
Molecules (Basel, Switzerland)|February 11, 2023
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the <i>Mycobacterium tuberculosis</i> Outer MembraneLiana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, et al.
Pageof 1