Vasilkoski Zlatko, Weaver David L
Molecular Modeling Laboratory, Department of Physics, Tufts University, Medford, Massachusetts 02155, USA.
J Comput Chem. 2004 Jun;25(8):1101-7. doi: 10.1002/jcc.20032.
The diffusion-collision model (DCM) of protein folding is described qualitatively and quantitatively. The input parameters required to perform a calculation are explained, and the output data are outlined. Three examples are given of calculating DCM folding kinetics: the Engrailed Homeodomain (a three-helix bundle with three helical microdomains, pdb code 1ENH), protein G (with three microdomains having a beta-hairpin-alpha-helix-beta-hairpin motif, pdb code 1PGA), and apomyoglobin (with eight helices and seven strong microdomain-microdomain pairings).
对蛋白质折叠的扩散-碰撞模型(DCM)进行了定性和定量描述。解释了进行计算所需的输入参数,并概述了输出数据。给出了三个计算DCM折叠动力学的例子: engrailed同源结构域(一个具有三个螺旋微结构域的三螺旋束,pdb代码1ENH)、蛋白G(具有三个具有β-发夹-α-螺旋-β-发夹基序的微结构域,pdb代码1PGA)和脱辅基肌红蛋白(具有八个螺旋和七个强微结构域-微结构域配对)。