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在“SpringerLink电子期刊”中，命中：6,723条，耗时：0.1299443 秒

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1. Preclinical in vivo and in vitro comparison of the translocator protein PET ligands [p class="a-plus-plus">18p>F]PBR102 and [p class="a-plus-plus">18p>F]PBR111

作者： S. Eberl ; A. Katsifis ; M. A. Peyronneau…

关键词：TSPO ; [18F]PBR102 ; [18F]PBR111 ; Microsomes ; Metabolism ; Non ; human primate PET ; CT

刊名：European Journal of Nuclear Medicine and Molecular Imaging

出版年：2017

2. Computational investigation on inhibition mechanism of BRAFp class="a-plus-plus">V600Ep> by Vemurafenib (PLX4032) and its analogue PLX4720

作者： XiaoYun Wu ; Yu Fu ; YuanYuan Wang ; ShanHe Wan ; JiaJie Zhang

关键词：Molecular dynamics (MD) ; Binding free energy calculation ; BRAFV600E ; PLX4032·PLX4720

刊名：Medicinal Chemistry Research

出版年：2017

3. Probing the intermolecular interactions of PPARγ-LBD with polyunsaturated fatty acids and their anti-inflammatory metabolites to infer most potential binding moieties

作者： Shalini Muralikumar ; Umashankar Vetrivel…

关键词：PPARγ ; PUFA ; Bioactive lipids ; Docking ; Helix12

刊名：Lipids in Health and Disease

出版年：2017

4. Coordination of Lewis Acids to Transition Metals: Z-Type Ligands

关键词：Ambiphilic ligands ; Boranes ; Lewis acids ; M→Lewis acid interactions ; M→Z interactions ; Polyfunctional ligands ; σ ; acceptor ligands

刊名：Structure & Bonding

出版年：2017

5. A comparative study of the coordination of saccharinate (sac), thiosaccharinate (tsac) and benzisothiazolinate (bit) ligands to plus-plus">trans-[PdCl_plus-plus">2(H_plus-plus">2NBz)_plus-plus">2]: molecular structure of plus-plus">cis-[Pd(bit)

作者： Subhi A. Al-Jibori ; Wisam J. Hameed ; Lamaan J. Al-Hayaly…

刊名：Transition Metal Chemistry

出版年：2017

6. A density functional theory investigation of the interaction of the tetraaqua calcium cation with bidentate carbonyl ligands

作者： Daniel Garcez S. Quattrociocchi…

关键词：Ca2+ cation ; Chelate effect ; Inorganic scaling ; Bidentate carbonyl ligands ; Ionophore ; Density functional theory (DFT) ; Energy decomposition analysis

刊名：Journal of Molecular Modeling

出版年：2017

7. Analysing the effect of I_plus-plus">1 imidazoline receptor ligands on DSS-induced acute colitis in mice

作者： Ágnes Fehér ; Viktória E. Tóth ; Mahmoud Al-Khrasani ; Mihály Balogh…

关键词：Colitis ; Inflammatory bowel disease ; Dextran sulphate sodium ; Imidazoline receptor

刊名：Inflammopharmacology

出版年：2017

8. The role of NLRP3 and AIM2 in inflammasome activation during plus-plus">Brucella abortus infection

作者： Fernanda M. Marim ; Miriam M. Costa Franco…

关键词：Inflammasome ; Dendritic cells ; AIM2 ; NLRP3 ; Brucella ; Neurobrucellosis

刊名：Seminars in Immunopathology

出版年：2017

9. Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)

作者： Octav Caldararu ; Martin A. Olsson…

关键词：Ligand ; binding affinities ; Host–guest systems ; Density ; functional theory ; Dispersion corrections ; COSMO ; RS ; DLPNO–CCSD(T) ; SAMPL5

刊名：Journal of Computer-Aided Molecular Design

出版年：2017

10. On the fly estimation of host–guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge

作者： Nupur Bansal ; Zheng Zheng ; David S. Cerutti…

关键词：SAMPL5 ; Blind challenge ; Binding free energy ; Movable type ; Octa ; acid ; Cucurbituril

刊名：Journal of Computer-Aided Molecular Design

出版年：2017

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