蛋白质α螺旋检测的四元数方法

Quaternion-based Characterization of Protein α Helix

本文提出一种基于四元数表示的蛋白质α螺旋检测方法。本方法将蛋白质Cα坐标系螺旋轴映射到单位球面上,在此基础上定义了四元数螺旋轴球面距离(Quaternion Helix Axis Spherical Distance,QHASD)并用该指标对二级结构中的α螺旋进行检测。基于PDBselect数据库应用本文方法进行验证,对α螺旋检测精度达到91.7%。本文方法具有检测精度高、计算复杂度低和几何意义明确的显著优点。

This paper proposes a method based on quaternion for characterizationαhelix of proteins.The method defines the parameter called Quaternion Helix Axis Spherical Distance（QHASD）on the basis of mapping protein Cαframes′helical axis onto a unit sphere,and uses QHASD to characterize theαhelix of the protein secondary structure.Application of this method has been verified based on the PDBselect database,with anαhelix characterization accuracy of 91.7%.This method possesses significant advantages of high detection accuracy,low computation and clear geometric significance.