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在“SpringerLink电子期刊”中，命中：61,271条，耗时：小于0.01 秒

在所有数据库中总计命中：2条

1. Resolving the problem of trapped water in binding cavities: prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics

作者： Soumendranath Bhakat ; Pär Söderhjelm

关键词：SAMPL5 ; Host–guest complex ; Metadynamics ; Binding free energy ; MD simulation

刊名：Journal of Computer-Aided Molecular Design

出版年：2017

2. The SAMPL5 host–guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method

作者： Jian Yin ; Niel M. Henriksen…

关键词：SAMPL5 ; Binding free energy ; Binding enthalpy ; Host–guest ; Force field ; Water model

刊名：Journal of Computer-Aided Molecular Design

出版年：2017

3. Four mononuclear platinum(II) complexes: synthesis, DNA/BSA binding, DNA cleavage and cytotoxicity

作者： Qingming Wang ; Lei Yang ; Jiahui Wu ; Hua Wang ; Jialiang Song ; Xinhui Tang

关键词：Platinum(II) complexes ; DNA binding ; Bovine serum albumin (BSA) binding ; Binding modes

刊名：BioMetals

出版年：2017

4. Modular combinatorial binding among human trans-acting factors reveals direct and indirect factor binding

作者： Yuchun Guo ; David K. Gifford

关键词：Computational genomics ; Transcription factor ; Combinatorial binding ; Direct and indirect binding ; Topic model

刊名：BMC Genomics

出版年：2017

5. Proteome wide identification of iron binding proteins of Xanthomonas translucens pv. undulosa: focus on secretory virulent proteins

作者： Ankita Sharma ; Dixit Sharma ; Shailender Kumar Verma

关键词：Xanthomonas translucens pv. undulosa ; Iron binding proteins ; Secretory iron binding virulent proteins ; Ton ; B dependent receptors

刊名：BioMetals

出版年：2017

6. Serum Fatty Acid-Binding Protein 4 is Increased in Patients with Psoriasis

作者： A. Baran ; M. Świderska ; Joanna Bacharewicz-Szczerbicka ; H. Myśliwiec ; I. Flisiak

关键词：Psoriasis ; Fatty acid ; binding protein 3 ; Fatty acid ; binding protein 4 ; Anthralin ; Lipids ; Metabolic syndrome

刊名：Lipids

出版年：2017

7. The crystal structure of the AgamOBP1•Icaridin complex reveals alternative binding modes and stereo-selective repellent recognition

作者： Christina E. Drakou ; Katerina E. Tsitsanou…

关键词：Anopheles gambiae ; Odorant binding protein ; Repellents ; Icaridin ; DEET ; Stereoselectivity

刊名：Cellular and Molecular Life Sciences

出版年：2017

8. An isothermal titration calorimetry study of phytate binding to lysozyme

作者： Samuel J. Darby ; Lauren Platts…

关键词：Allostery ; Cooperative binding ; ITC ; Phytase ; Digestion

刊名：Journal of Thermal Analysis and Calorimetry

出版年：2017

9. Effect of Magnetic Field and Shell Thickness on Binding Energies of a ZnSe/ZnS Core Shell Quantum Dot

作者： Bashir Mohi ud din Bhat ; Muhammad Shunaid Parvaiz…

关键词：Core shell quantum dots ; magnetic field ; binding energy ; electronic structure

刊名：Journal of Electronic Materials

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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