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SpringerLink电子期刊(205992)

在“SpringerLink电子期刊”中，命中：205,992条，耗时：0.0129928 秒

在所有数据库中总计命中：205,992条

1. Potential acetylcholinesterase inhibitors: molecular docking, molecular dynamics, and in silico prediction

作者： Alessandra S. Kiametis ; Mônica A. Silva…

关键词：AChE inhibitors design ; Molecular docking ; Molecular dynamics ; In silico prediction

刊名：Journal of Molecular Modeling

出版年：2017

2. Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

作者： Michael R. Shirts ; Christoph Klein…

关键词：Molecular dynamics ; Simulation validation ; Molecular simulation ; SAMPL5

刊名：Journal of Computer-Aided Molecular Design

出版年：2017

3. Understanding Ependymoma Oncogenesis: an Update on Recent Molecular Advances and Current Perspectives

作者： Kirti Gupta ; Pravin Salunke

关键词：Ependymoma ; Molecular markers ; Oncogenesis ; Current perspectives ; Molecular subgroups

刊名：Molecular Neurobiology

出版年：2017

4. Molecular Docking, Molecular Dynamics Simulations, Computational Screening to Design Quorum Sensing Inhibitors Targeting LuxP of Vibrio harveyi and Its Biological Evaluation

作者： Sundaraj Rajamanikandan ; Jeyaraman Jeyakanthan…

关键词：Quorum sensing ; Boronic acid derivatives ; Molecular docking ; Molecular dynamics simulations ; In vitro assays

刊名：Applied Biochemistry and Biotechnology

出版年：2017

5. Expanding role of molecular chaperones in regulating α-synuclein misfolding; implications in Parkinson’s disease

作者： Sandeep K. Sharma ; Smriti Priya

关键词：Parkinson’s diseaseα ; Synuclein ; Molecular chaperones ; Hsp70 ; Hsp100 ; Hsp110 ; Small Hsps ; Protein homeostasis

刊名：Cellular and Molecular Life Sciences

出版年：2017

6. Viscosity of heptane-toluene mixtures. Comparison of molecular dynamics and group contribution methods

作者： Ana Milena Velásquez ; Bibian A. Hoyos

关键词：Viscosity ; Molecular simulation ; Heptane ; toluene mixtures ; Group contribution methods

刊名：Journal of Molecular Modeling

出版年：2017

7. Docking and molecular dynamics studies on triclosan derivatives binding to FabI

作者： Xuyun Yang ; Junrui Lu ; Ming Ying ; Jiangbei Mu ; Peichun Li…

关键词：Enoyl ; ACP reductase ; MM ; PBSA ; Molecular dynamics simulation ; Triclosan

刊名：Journal of Molecular Modeling

出版年：2017

8. Reliable prediction of adsorption isotherms via genetic algorithm molecular simulation

作者： L. LoftiKatooli ; A. Shahsavand

关键词：Adsorption isotherm ; GCMC ; Genetic algorithm ; Global optimization ; Molecular simulation

刊名：Journal of Molecular Modeling

出版年：2017

9. Rate variation during molecular evolution: creationism and the cytochrome c molecular clock

作者： James R. Hofmann

关键词：Molecular evolution ; Cytochrome c ; Molecular phylogenetics ; Mutation rates ; Molecular clocks ; Creationism

刊名：Evolution: Education and Outreach

出版年：2017

10. Molecular topology: a strategy to identify novel compounds against ulcerative colitis

作者： María Gálvez-Llompart ; Maria C. Recio ; Ramón García-Domenech…

关键词：Quantitative structure–activity relationship (QSAR) ; Molecular topology ; Virtual screening ; RAW 264.7 ; Ulcerative colitis ; iNOS ; TNF ; alpha

刊名：Molecular Diversity

出版年：2017

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