Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membrane (English)
- New search for: Khataee, Alireza
- New search for: Bayat, Golchehreh
- New search for: Azamat, Jafar
- New search for: Khataee, Alireza
- New search for: Bayat, Golchehreh
- New search for: Azamat, Jafar
In:
Journal of Molecular Graphics and Modelling
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71
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176-183
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2016
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membrane
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Contributors:
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Published in:Journal of Molecular Graphics and Modelling ; 71 ; 176-183
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Publisher:
- New search for: Elsevier Inc.
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Publication date:2016-11-29
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Size:8 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 71
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Modification of polychlorinated phenols and evaluation of their toxicity, biodegradation and bioconcentration using three-dimensional quantitative structure–activity relationship modelsTong, Lidan / Guo, Lixin / Lv, Xiaojun / Li, Yu et al. | 2016
- 13
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A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized treesNattee, Cholwich / Khamsemanan, Nirattaya / Lawtrakul, Luckhana / Toochinda, Pisanu / Hannongbua, Supa et al. | 2016
- 28
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Glucose derivatives substitution and cyclic peptide diameter effects on the stability of the self-assembled cyclic peptide nanotubes; a joint QM/MD studyKhavani, Mohammad / Izadyar, Mohammad / Housaindokht, Mohammad Reza et al. | 2016
- 40
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Structural and water diffusion of poly(acryl amide)/poly(vinyl alcohol) blend films: Experiment and molecular dynamics simulationsWang, Yanen / Wei, Qinghua / Wang, Shuzhi / Chai, Weihong / Zhang, Yingfeng et al. | 2016
- 50
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Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key ApproachTutone, Marco / Perricone, Ugo / Almerico, Anna Maria et al. | 2016
- 58
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Molecular docking and molecular dynamics simulation analyses of urea with ammoniated and ammoxidized ligninLi, Wenzhuo / Zhang, Song / Zhao, Yingying / Huang, Shuaiyu / Zhao, Jiangshan et al. | 2016
- 70
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In silico target prediction for elucidating the mode of action of herbicides including prospective validationChiddarwar, Rucha K. / Rohrer, Sebastian G. / Wolf, Antje / Tresch, Stefan / Wollenhaupt, Sabrina / Bender, Andreas et al. | 2016
- 80
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Effect of solvent model when probing protein dynamics with molecular dynamicsGenheden, Samuel et al. | 2016
- 88
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Comprehensive comparison of twenty structural characterization scales applied as QSAM of antimicrobial dodecapeptides derived from Bac2A against P. aeruginosaQian, Yu / Liang, Ya’nan / Liu, Wanqian / Liang, Guizhao et al. | 2016
- 96
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De novo lead optimization of triazine derivatives identifies potent antimalarialsShandilya, Ashutosh / Hoda, Nasimul / Khan, Sameena / Jameel, Ehtesham / Kumar, Jitendra / Jayaram, B. et al. | 2016
- 104
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Elucidating a chemical defense mechanism of Antarctic sponges: A computational studyVankayala, Sai Lakshmana / Kearns, Fiona L. / Baker, Bill J. / Larkin, Joseph D. / Lee Woodcock, H. et al. | 2016
- 116
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Homology modeling and molecular dynamics simulation of the HIF2α degradation-related HIF2α-VHL complexDong, Xiaotian / Su, Xiaoru / Yu, Jiong / Liu, Jingqi / Shi, Xiaowei / Pan, Qiaoling / Yang, Jinfeng / Chen, Jiajia / Li, Lanjuan / Cao, Hongcui et al. | 2016
- 124
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The effects of fluorine substitution on the chemical properties and inhibitory capacity of Donepezil anti-Alzheimer drug; density functional theory and molecular docking calculationsKhosravan, Azita / Marani, Safora / Sadeghi Googheri, Mohammad Sadegh et al. | 2016
- 135
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Structure-based analysis of Bacilli and plasmid dihydrofolate reductase evolutionAlotaibi, Mona / Reyes, Ben Delos / Le, Tin / Luong, Phuong / Valafar, Faramarz / Metzger, Robert P. / Fogel, Gary B. / Hecht, David et al. | 2016
- 154
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Structural dynamics of Casein Kinase I (CKI) from malarial parasite Plasmodium falciparum (Isolate 3D7): Insights from theoretical modelling and molecular simulationsDehury, Budheswar / Behera, Santosh Kumar / Mahapatra, Namita et al. | 2016
- 167
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Insight into the structure and stability of Tc and Re DMSA complexes: A computational studyHernández-Valdés, Daniel / Blanco-González, Alejandro / García-Fleitas, Ariel / Rodríguez-Riera, Zalua / Meola, Giuseppe / Alberto, Roger / Jáuregui-Haza, Ulises et al. | 2016
- 176
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Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membraneKhataee, Alireza / Bayat, Golchehreh / Azamat, Jafar et al. | 2016
- 184
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Proliferating miller indices of C20 fullerene device under DFT-NEGF regimeKaur, Milanpreet / Sawhney, Ravinder Singh / Engles, Derick et al. | 2016
- 192
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Probing the stereospecificity of tyrosyl- and glutaminyl-tRNA synthetase with molecular dynamicsDruart, Karen / Guennec, Maeva Le / Palmai, Zoltan / Simonson, Thomas et al. | 2016
- 200
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Meshing molecular surfaces based on analytical implicit representationQuan, Chaoyu / Stamm, Benjamin et al. | 2016
- 211
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Investigating carbohydrate based ligands for galectin-3 with docking and molecular dynamics studiesWalker, Alice R. / Bonomi, Robin / Popov, Vadim / Gelovani, Juri G. / Andrés Cisneros, G. et al. | 2016
- 218
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Modeling global changes induced by local perturbations to the HIV-1 capsidBergman, Shana / Lezon, Timothy R. et al. | 2016
- 227
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On the mechanism of substrate/non-substrate recognition by P-glycoproteinMukhametov, Azat / Raevsky, Oleg A. et al. | 2016
- 233
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Alchemical determination of drug-receptor binding free energy: Where we stand and where we could move toProcacci, Piero et al. | 2016
- 242
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Multiple machine learning based descriptive and predictive workflow for the identification of potential PTP1B inhibitorsChandra, Sharat / Pandey, Jyotsana / Tamrakar, Akhilesh Kumar / Siddiqi, Mohammad Imran et al. | 2016
- 257
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Conformational analysis of 9-crown-3, 9-thiacrown-3 and 9-azacrown-3Al-Jallal, Nada A. / El-Azhary, Adel. A. et al. | 2016
- iii
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Editorial Board| 2016