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International Journal of Molecular Sciences|January 23, 2024
Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis 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 Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics StudyAlexander V Vasyankin, Sergey V Panteleev, Ilya S Steshin, et al.Journal of Chemical Information and Modeling|July 6, 2019
Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase InhibitorsVladimir P Berishvili, Valentin O Perkin, Andrew E Voronkov, et al.International Journal of Molecular Sciences|November 25, 2023
5-Nitroisoxazoles in S Reactions: A Novel Chemo- and Regioselective Approach to Isoxazole-Based Bivalent Ligands of AMPA ReceptorsDmitry A Vasilenko, Nadezhda S Temnyakova, Sevastian E Dronov, et al.Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|October 11, 2016
Complex formation of albumin with tricarbocyanine dyes containing phosphonate groupsVladimir A Kuzmin, Tatiana D Nekipelova, Tatyana A Podrugina, et al.Journal of Computer-Aided Molecular Design|October 19, 2005
Virtual computational chemistry laboratory--design and descriptionIgor V Tetko, Johann Gasteiger, Roberto Todeschini, et al.Molecules (Basel, Switzerland)|December 11, 2022
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR AnalysisKseniya N Sedenkova, Denis V Zverev, Anna A Nazarova, et al.Molecules (Basel, Switzerland)|February 11, 2023
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer MembraneLiana A Savintseva, Ilya S Steshin, Alexander A Avdoshin, et al.Molecules (Basel, Switzerland)|November 11, 2022
Synthesis and Cytotoxic Activity of 1,2,4-Triazolo-Linked Bis-Indolyl Conjugates as Dual Inhibitors of Tankyrase and PI3KPrasanna A Yakkala, Samir R Panda, Syed Shafi, et al.Journal of Medicinal Chemistry|August 18, 2006
Nonpeptide inhibitors of measles virus entryAiming Sun, Andrew Prussia, Weiqiang Zhan, et al.Pageof 4