Molecular Simulation, Volume 39, Issue 10 (2013)

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Molecular Simulation, Volume 39, Issue 10 (2013)

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Original Articles

Article
The effects of vitronectin on specific interactions between urokinase-type plasminogen activator and its receptor: ab initio molecular orbital calculations
Tomoyo Kasumi, Kohta Araki, Tatsuya Ohyama, Shingo Tsuji, Eri Yoshikawa, Hiroshi Kobayashi & Noriyuki Kurita
Pages: 769-779
Published online: 25 Mar 2013
AbstractforThe effects of vitronectin on specific interactions between urokinase-type plasminogen activator and its receptor: ab initio molecular orbital calculations | Full Text | References | PDF (239 KB)
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Article
Investigation on bioactive protection of the amino acids derived from LEA protein on insulin by molecular simulation
Daixi Li, Baisong Guo, Baolin Liu, Zhen Zhai, Yan Zhang, Yaru Liu, Huaxing Yu, Li Liu & Chunsheng Yang
Pages: 780-787
Published online: 27 Mar 2013
AbstractforInvestigation on bioactive protection of the amino acids derived from LEA protein on insulin by molecular simulation | Full Text | References | PDF (365.7 KB)
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Article
Computational investigation of interaction mechanisms between juglone and influenza virus surface glycoproteins
Zhiwei Yang, Yuchun Yang, Fei Wu & Xu Feng
Pages: 788-795
Published online: 27 Mar 2013
AbstractforComputational investigation of interaction mechanisms between juglone and influenza virus surface glycoproteins | Full Text | References | PDF (315.2 KB)
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Article
DL_MESO: highly scalable mesoscale simulations
Michael A. Seaton, Richard L. Anderson, Sebastian Metz & William Smith
Pages: 796-821
Published online: 27 Mar 2013
AbstractforDL_MESO: highly scalable mesoscale simulations | Full Text | References | PDF (748.7 KB)
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Article
Theoretical discussion on the mechanism of binding CO2 by DBU and alcohol
Yiqiu Wang, Qingzhen Han & Hao Wen
Pages: 822-827
Published online: 27 Mar 2013
AbstractforTheoretical discussion on the mechanism of binding CO2 by DBU and alcohol | Full Text | References | PDF (207.3 KB)
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Article
Understanding the folding and stability of a designed WW domain protein with replica exchange molecular dynamics simulations
Jian-ping Hu, Hong-qiu He, Xiong Jiao & Shan Chang
Pages: 828-836
Published online: 14 Mar 2013
AbstractforUnderstanding the folding and stability of a designed WW domain protein with replica exchange molecular dynamics simulations | Full Text | References | PDF (448 KB)
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Article
Solidification of the charged hard-sphere fluid
Stanisław Lamperski, Marcin Waśko & Douglas Henderson
Pages: 837-841
Published online: 03 Apr 2013
AbstractforSolidification of the charged hard-sphere fluid | Full Text | References | PDF (209.3 KB)
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Article
Molecular insights into the mechanisms of cation-type specific stability and denaturation of poly-l-glutamate: a simulation study
Hao Shen, Xin Shen, Wei Cheng & Feng-Shou Zhang
Pages: 842-847
Published online: 05 Apr 2013
AbstractforMolecular insights into the mechanisms of cation-type specific stability and denaturation of poly-l-glutamate: a simulation study | Full Text | References | PDF (225.2 KB)
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