Wide-angle X-ray solution scattering for protein-ligand binding: multivariate curve resolution with Bayesian confidence intervals.
Wide-angle X-ray solution scattering for protein-ligand binding: multivariate curve resolution with Bayesian confidence intervals.
复制标题
用于蛋白质-配体结合的广角 X 射线溶液散射：具有贝叶斯置信区间的多元曲线分辨率。
DOI：
10.1016/j.bpj.2012.12.019
复制
发表时间：
2013
影响因子：
3.4
通讯作者：
Makowski,Lee
中科院分区：
文献类型：
--
作者：
Minh,DavidDL;Makowski,Lee
A new way to use wide-angle x-ray solution scattering to study protein-ligand binding is presented. First, scattering patterns are measured at different protein and ligand concentrations. Multivariate curve resolution based on singular value decomposition and global analysis is applied to estimate the binding affinities and reference patterns (i.e., the scattering patterns of individual components). As validated by simulation, Bayesian confidence intervals provide accurate uncertainty estimates for the binding free energies and reference patterns. Experimental results from several protein-ligand systems demonstrate the feasibility of the approach, which promises to expand the role of wide-angle x-ray scattering as a quantitative biophysical tool.
