Effects of single-walled carbon nanotube on the conformation of human hepcidin: molecular dynamics simulation and binding free energy calculations

Rasoolzadeh Reza; Mehrnejad Faramarz; Taghdir Majid; Yaghmaei Parichehreh

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Effects of single-walled carbon nanotube on the conformation of human hepcidin: molecular dynamics simulation and binding free energy calculations

机译：单壁碳纳米管对人肝素构象的影响：分子动力学模拟和结合自由能计算

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来源
《Journal of Biomolecular Structure and Dynamics》 |2019年第8期|共8页
作者
Rasoolzadeh Reza; Mehrnejad Faramarz; Taghdir Majid; Yaghmaei Parichehreh;
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作者单位

Islamic Azad Univ Sci &

Res Branch Dept Biol Tehran Iran;

Univ Tehran Fac New Sci &

Technol Dept Life Sci Engn Tehran Iran;

Tarbiat Modares Univ Fac Biol Sci Dept Biophys Tehran Iran;

Islamic Azad Univ Sci &

Res Branch Dept Biol Tehran Iran;

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原文格式 PDF
正文语种 eng
中图分类分子生物学;
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1. Effects of single-walled carbon nanotube on the conformation of human hepcidin: molecular dynamics simulation and binding free energy calculations [J] . Rasoolzadeh Reza, Mehrnejad Faramarz, Taghdir Majid, Journal of Biomolecular Structure and Dynamics . 2019,第7a8期

机译：单壁碳纳米管对人肝素构象的影响：分子动力学模拟和结合自由能计算
2. The effects of single-walled carbon nanotubes (SWCNTs) on the structure and function of human serum albumin (HSA): Molecular docking and molecular dynamics simulation studies [J] . Sahihi Mehdi, Borhan Ghazal Structural Chemistry . 2017,第6期

机译：单壁碳纳米管（SWCNTS）对人血清白蛋白（HSA）结构和功能的影响：分子对接与分子动力学模拟研究
3. Binding free energy calculation of peptides to carbon nanotubes using molecular dynamics with a linear interaction energy approach [J] . Kyani A, Goliaei B Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2009,第1a3期

机译：使用分子动力学和线性相互作用能方法计算肽与碳纳米管的结合自由能
4. Interaction Between gp120 and Ligand in HIV-1 Env Protein: Molecular Dynamics Simulations and Binding Free Energy Calculations [C] . Vishnudatt Pandey, Gargi Tiwari, Vijaya Shri Mall, International Conference on Advances in Basic Sciences . 2019

机译：HIV-1 ENV蛋白质中GP120与配体之间的相互作用：分子动力学模拟和绑定自由能计算
5. Conformational study of nano-1 peptide at the water/carbon nanotube interface using molecular dynamics simulations. [D] . Chiu, Chi-Cheng. 2007

机译：使用分子动力学模拟在水/碳纳米管界面处对nano-1肽进行构象研究。
6. Molecular dynamics simulations and free energy calculations of netropsin and distamycin binding to an AAAAA DNA binding site [O] . Jožica Dolenc, Chris Oostenbrink, Jože Koller, 2005

机译：Netropsin和Distamycin结合AAAAA DNA结合位点的分子动力学模拟和自由能计算
7. Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations [O] . -1

机译：使用同源性建模，分子对接分子动力学模拟和MM-PBSA结合自由能计算的CB1和CB2配体对CB1和CB2配体的结合亲和力和选择性的预测

Effects of single-walled carbon nanotube on the conformation of human hepcidin: molecular dynamics simulation and binding free energy calculations

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