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Material Type: Artigo
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Photoluminescence in Cerium-Doped Fluoride Borate CrystalsInerbaev, Talgat M. ; Han, Yulun ; Bekker, Tatyana B. ; Kilin, Dmitri S.Journal of physical chemistry. C, 2023-05, Vol.127 (19), p.9213-9224 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Mechanisms of Photoluminescence in Copper-Containing Fluoride Borate CrystalsInerbaev, Talgat M ; Han, Yulun ; Bekker, Tatyana B ; Kilin, Dmitri SJournal of physical chemistry. C, 2022-04, Vol.126 (14), p.6119-6128 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Accurate Binding Configuration Prediction of a G‑Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic DockingBekker, Gert-Jan ; Araki, Mitsugu ; Oshima, Kanji ; Okuno, Yasushi ; Kamiya, NarutoshiJournal of chemical information and modeling, 2021-10, Vol.61 (10), p.5161-5171 [Periódico revisado por pares]Washington: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Binding Mechanism between Platelet Glycoprotein and Cyclic Peptide Elucidated by McMD-Based Dynamic DockingBekker, Gert-Jan ; Oshima, Kanji ; Araki, Mitsugu ; Okuno, Yasushi ; Kamiya, NarutoshiJournal of chemical information and modeling, 2024-05, Vol.64 (10), p.4158-4167 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Crystal Chemical Design of Functional Fluoride Borates with “Antizeolite” StructureBekker, Tatyana ; Solntsev, Vladimir ; Yelisseyev, Alexander ; Davydov, Alexey ; Rashchenko, SergeyCrystal growth & design, 2020-06, Vol.20 (6), p.4100-4107 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Optical and Magnetic Properties of Cu-Containing Borates with “Antizeolite” StructureSolntsev, Vladimir P ; Bekker, Tatyana B ; Davydov, Aleksey V ; Yelisseyev, Alexander P ; Rashchenko, Sergey V ; Kokh, Alexander E ; Grigorieva, Veronika D ; Park, So-HyunJournal of physical chemistry. C, 2019-02, Vol.123 (7), p.4469-4474 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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The Ternary Reciprocal System Na, Ba // BO2, FBekker, T. B ; Fedorov, P. P ; Kokh, A. ECrystal growth & design, 2012-01, Vol.12 (1), p.129-134 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Crystal Growth and Phase Equilibria in the BaB2O4−NaF SystemBekker, T. B ; Kokh, A. E ; Kononova, N. G ; Fedorov, P. P ; Kuznetsov, S. VCrystal growth & design, 2009-09, Vol.9 (9), p.4060-4063 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Integrated Project Views: Decision Support Platform for Drug Discovery Project TeamsBaede, Eric J ; den Bekker, Ernest ; Boiten, Jan-Willem ; Cronin, Deborah ; van Gammeren, Rob ; de Vlieg, JacobJournal of chemical information and modeling, 2012-06, Vol.52 (6), p.1438-1449 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Using Open Data to Rapidly Benchmark Biomolecular Simulations: Phospholipid Conformational DynamicsAntila, Hanne S ; M. Ferreira, Tiago ; Ollila, O. H. Samuli ; Miettinen, Markus SJournal of chemical information and modeling, 2021-02, Vol.61 (2), p.938-949 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |