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a tool for modified residues topology generation

已有 2657 次阅读 2014-8-20 20:22 |个人分类:科研笔记|系统分类:科研笔记


Most proteins undergo post translation in vivo including phosphorylation, acetylation, methylation, palmitoylation and so on. Those modified property sometimes contribute great importance on protein stability and physiological functions. However, currently, parameterizing modified covalent bond residues always need tedious and careful work. Here Brazen et. al. developed a sever tool for generating modified residues topology. Currently, this tool support Gromos 54A7 and Gromos 45A3 FF.

 

Server: http://vienna-ptm.univie.ac.at/


Related Papers:

1 Margreitter C*, Petrov D* & Zagrovic B (2013)"Vienna-PTM webserver: a toolkit for MD simulations of protein post-translational modifications"Nucleic Acids Research, 41, W422-426.


2 Petrov D*, Margreitter C*, Grandits M, Oostenbrink C & Zagrovic B (2013)"Development and verification of force-field parameters for molecular dynamics simulations of protein post-translational modifications"PLOS Computational Biology, 9(7), e1003154.




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