García de la Torre J, Carrasco B
Departamento de Química Física, Facultad de Química, Universidad de Murcia, 30071 Murcia, Spain.
Biopolymers. 2002 Mar;63(3):163-7. doi: 10.1002/bip.10013.
A procedure is devised for the calculation of hydrodynamic properties of rigid macromolecules composed subunits that are modeled as ellipsoids of revolution and cylinders. Owing to the axial symmetry of these shapes, smooth shell models can be constructured for the subunit structure. The bead shell model so constructed is employed for the calculation of the properties. A computer program, HYDROSUB, has been written implementing both the model building and the hydrodynamic calculation. A detailed example of the use of this methodology is presented for the case of the solution properties of the human antibody molecule immunoglobulin G3 (IgG3). Finally, hints are given on other uses and applications of the procedure.
设计了一种程序,用于计算由亚基组成的刚性大分子的流体动力学性质,这些亚基被建模为旋转椭球体和圆柱体。由于这些形状的轴对称性,可以构建亚基结构的光滑壳模型。如此构建的珠壳模型用于计算性质。已经编写了一个计算机程序HYDROSUB,实现了模型构建和流体动力学计算。针对人抗体分子免疫球蛋白G3(IgG3)的溶液性质情况,给出了该方法使用的详细示例。最后,给出了该程序其他用途和应用的提示。