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Works (4)

Expanding Predictive Capacities in Toxicology: Insights from Hackathon-Enhanced Data and Model Aggregation

Molecules
2024-04-17 | Journal article
Contributors: Dmitrii O. Shkil; Alina A. Muhamedzhanova; Philipp I. Petrov; Ekaterina V. Skorb; Timur A. Aliev; Ilya S. Steshin; Alexander V. Tumanov; Alexander S. Kislinskiy; Maxim V. Fedorov
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Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study

Molecules
2024-02-02 | Journal article
Contributors: Alexander V. Vasyankin; Sergey V. Panteleev; Ilya S. Steshin; Ekaterina A. Shirokova; Alexey V. Rozhkov; Grigory D. Livshits; Eugene V. Radchenko; Stanislav K. Ignatov; Vladimir A. Palyulin
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Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study

International Journal of Molecular Sciences
2024-01-13 | Journal article
Contributors: Ilya S. Steshin; Alexander V. Vasyankin; Ekaterina A. Shirokova; Alexey V. Rozhkov; Grigory D. Livshits; Sergey V. Panteleev; Eugene V. Radchenko; Stanislav K. Ignatov; Vladimir A. Palyulin
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Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the <i>Mycobacterium tuberculosis</i> Outer Membrane

Molecules
2023-01 | Journal article | Author
Contributors: Liana A. Savintseva; Ilya Steshin; Alexander A. Avdoshin; Sergey V. Panteleev; Alexey V. Rozhkov; Ekaterina Shirokova; Grigory D. Livshits; Alexander V. Vasyankin; Eugene Radchenko; Stanislav Ignatov et al.
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Multidisciplinary Digital Publishing Institute
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