Solvent Effect on Aquaporin-4 Channel Membrane: In Point of Nano Biotechnology
Yazarlar (2)
S. Shojaee
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience | ||
| Dergi ISSN | 1546-1955 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2015 |
| Cilt / Sayı / Sayfa | 12 / 3 / 449–458 | DOI | 10.1166/jctn.2015.3751 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84925234650&partnerID=MN8TOARS | ||
| Özet |
| Aquaporins are integral membrane proteins from a larger family of major intrinsic proteins that form pores in the membrane of biological cells. Aquaporins (AQP) constitute tetramer structures in the cell membrane with each monomer acting as a water channel. In this research, the AQP4 tetramer was modeled from its PDB structure file and simulated the solvents water, methanol, ethanol and DMSO in Different number of solvents (n = 0, 5, 10, 15, 20, 25) at different temperatures (298, 300, 302, 304, 306, 308 and 310) with OPLS and Amber force fields by Monte Carlo simulation method (MC). The Total energy (E tot), Potential (E pot) and Kinetic (E kin) energy (kcal/mol), are examined, with Amber and OPLS in force field in molecular mechanic (MM) method. In this investigation HyperChem professional release 7.01 is used for the quantum chemical calculations. We have performed geometry optimization and Monte Carlo simulation by this software. Finally, the results obtained by these two methods were analyzed. |
| Anahtar Kelimeler |
| Aquaporin | Force field | Quantum monte carlo | Water channel |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 6 |
| Scopus | 26 |