计算HDX内在汇率。
HDXrate的Python项目详细描述
Python包集合，用于HDX内部汇率计算。此包捆绑了此计算的现有实现。在
计算基于以下文件：
Bai, Y., Milne, J. S., Mayne, L. & Englander, S. W. Primary structure effects on peptide group hydrogen exchange. Proteins Structure, Function, and Bioinformatics 17, 75–86 (1993)
Mori, S., Zijl, P. C. M. van & Shortle, D. Measurement of water–amide proton exchange rates in the denatured state of staphylococcal nuclease by a magnetization transfer technique. Proteins Structure, Function, and Bioinformatics 28, 325–332 (1997).
另请参阅英格兰德集团网站上的excel表格：http://hx2.med.upenn.edu/download.html
- 自由软件：GNU通用公共许可证v3
特点
计算蛋白质中酰胺氢交换的内在速率。在
使用
>>> from hdxrate import k_int_from_sequence
>>> k_int_from_sequence('HHHHH', 300, 7.)
array([0.00000000e+00, 2.62430718e+03, 6.29527446e+01, 6.29527446e+01,
9.97734191e-01])
学分
PSX
https://github.com/Niels-Bohr-Institute-XNS-StructBiophys/PSX
Pedersen, M. C. et al. PSX, Protein–Solvent Exchange: software for calculation of deuterium-exchange effects in small-angle neutron scattering measurements from protein coordinates. J Appl Cryst 52, 1427–1436 (2019).
维护
- 约瑟姆·斯密特<；jhsmit@gmail.com>；/<；jochem.smit@kuleuven.be>
- 项目
标签：
欢迎加入QQ群-->： 979659372
