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Material Type: Artigo
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Cross-interaction of tau PET tracers with monoamine oxidase B: evidence from in silico modelling and in vivo imagingMurugan, N. Arul ; Chiotis, Konstantinos ; Rodriguez-Vieitez, Elena ; Lemoine, Laetitia ; Ågren, Hans ; Nordberg, AgnetaEuropean journal of nuclear medicine and molecular imaging, 2019-06, Vol.46 (6), p.1369-1382 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Designing and theoretical study of fluorinated small molecule donor materials for organic solar cellsMubashar, Usama ; Farhat, Afifa ; Khera, Rasheed Ahmad ; Iqbal, Naseem ; Saleem, Rabia ; Iqbal, JavedJournal of molecular modeling, 2021-07, Vol.27 (7), p.216-216, Article 216 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Compact stars in Rastall gravity: hydrostatic equilibrium and radial pulsationsPretel, Juan M. Z. ; Mota, Clésio E.General relativity and gravitation, 2024-04, Vol.56 (4), Article 43 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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Electronic and optical properties of two-dimensional perovskite materials in DJ and RP phases: density functional theory approachFathalizadeh, Nima ; Shojaei, Saeid ; Ahmadi-Kandjani, SohrabOptical and quantum electronics, 2023-11, Vol.55 (11), Article 950 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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The slow but steady rise of binding free energy calculations in drug discoveryXu, HuafengJournal of computer-aided molecular design, 2023-02, Vol.37 (2), p.67-74 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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pH-Dependent binding energy-induced inflection-point behaviors for pH-universal hydrogen oxidation reactionSu, Lixin ; Jin, Yiming ; Fan, Xinran ; Liu, Zeyu ; Luo, WeiScience China. Chemistry, 2023-11, Vol.66 (11), p.3262-3268 [Periódico revisado por pares]Beijing: Science China PressTexto completo disponível |
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Material Type: Artigo
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Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challengeAzimi, Solmaz ; Wu, Joe Z. ; Khuttan, Sheenam ; Kurtzman, Tom ; Deng, Nanjie ; Gallicchio, EmilioJournal of computer-aided molecular design, 2022, Vol.36 (1), p.63-76 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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AMOEBA binding free energies for the SAMPL7 TrimerTrip host–guest challengeShi, Yuanjun ; Laury, Marie L. ; Wang, Zhi ; Ponder, Jay W.Journal of computer-aided molecular design, 2021-01, Vol.35 (1), p.79-93 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Synthesis, antitumor activity, enzyme assay, DNA binding and molecular docking of Bis-Schiff bases of pyrazolesMorsy, Nesrin M. ; Hassan, Ashraf S. ; Hafez, Taghrid S. ; Mahran, Mohamed R. H. ; Sadawe, Inass A. ; Gbaj, Abdul M.Journal of the Iranian Chemical Society, 2021, Vol.18 (1), p.47-59 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Study on distribution, chemical states and binding energy shifts of elements on the surface of gasification fine ashZhang, Yuanchun ; Li, Hanxu ; Wu, ChengliResearch on chemical intermediates, 2019-07, Vol.45 (7), p.3855-3864 [Periódico revisado por pares]Dordrecht: Springer NetherlandsTexto completo disponível |