日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

BIOPTIC B1 Ultra-High-Throughput Virtual Screening System Discovers LRRK2 Ligands in Vast Chemical Space

BIOPTIC B1 超高通量虚拟筛选系统在广阔的化学空间中发现 LRRK2 配体

期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.5c00743
Vinogradov, Vlad; Nguyen, Kong T; Steshin, Simon; Izmailov, Ivan; Doronichev, Andrey
LRRK2
发表日期：2025
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Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study

结核分枝杆菌外膜被动药物转运的自由能垒：分子动力学研究

期刊:International Journal of Molecular Sciences
影响因子:4.9
doi:10.3390/ijms25021006
Steshin, Ilya S; Vasyankin, Alexander V; Shirokova, Ekaterina A; Rozhkov, Alexey V; Livshits, Grigory D; Panteleev, Sergey V; Radchenko, Eugene V; Ignatov, Stanislav K; Palyulin, Vladimir A
发表日期：2024
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Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study

温度诱导的模拟结核分枝杆菌外膜的分枝菌酸双层结构重构：分子动力学研究

期刊:Molecules
影响因子:4.6
doi:10.3390/molecules29030696
Vasyankin, Alexander V; Panteleev, Sergey V; Steshin, Ilya S; Shirokova, Ekaterina A; Rozhkov, Alexey V; Livshits, Grigory D; Radchenko, Eugene V; Ignatov, Stanislav K; Palyulin, Vladimir A
发表日期：2024
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Expanding Predictive Capacities in Toxicology: Insights from Hackathon-Enhanced Data and Model Aggregation

拓展毒理学预测能力：来自黑客马拉松增强型数据和模型聚合的启示

期刊:Molecules
影响因子:4.6
doi:10.3390/molecules29081826
Shkil, Dmitrii O; Muhamedzhanova, Alina A; Petrov, Philipp I; Skorb, Ekaterina V; Aliev, Timur A; Steshin, Ilya S; Tumanov, Alexander V; Kislinskiy, Alexander S; Fedorov, Maxim V
发表日期：2024
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Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane

结核分枝杆菌外膜分枝菌酸形成的双层膜的构象动力学和稳定性

期刊:Molecules
影响因子:4.6
doi:10.3390/molecules28031347
Savintseva, Liana A; Steshin, Ilya S; Avdoshin, Alexander A; Panteleev, Sergey V; Rozhkov, Alexey V; Shirokova, Ekaterina A; Livshits, Grigory D; Vasyankin, Alexander V; Radchenko, Eugene V; Ignatov, Stanislav K; Palyulin, Vladimir A
发表日期：2023
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