Insights into protein-TNS (2-p-toluidinylnaphthalene-6-sulfonate) interaction using molecular dynamics simulation
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- 作者：Neshatul Haque ; N.P. Prabhu ; nppsl@uohyd.ernet.in" class="auth_mail
- 关键词：TNS ; Fluorescent dye ; Simulation ; Docking ; Unfolded protein
- 刊名：Journal of Molecular Structure
- 出版年：25 June 2014
- 年：2014
- 卷：1068
- 期：Complete
- 页码：261-269
- 全文大小：3670 K
文摘
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Proteins with partially unfolded conformations were made in silico.
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TNS was docked against different conformations of the proteins.
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Dynamic simulation of protein–TNS complexes were carried out.
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Resultant conformations were analyzed.
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20">TNS fluorescence due to hydrophobic environment and reduced solvent accessibility.
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25">Binding orientation and binding ability has less contribution to fluorescence.