PROTEIN SHAPE DESCRIPTORS

Dock程序使用几何方法来寻找可能的 蛋白质-配体和蛋白质-蛋白质取向。我已经发展出 形状描述符，可由dock程序使用来探索和 评估可能的方向。我当前的方法使用的是实体 用于识别蛋白质上基于形状的区域的表面角度 浮出水面。使用诸如MidasPlus之类的图形程序来检查 曲面，并通过以下方式将实心角度值投影到曲面上 改变表面的颜色。

The DOCK program uses geometric methods to find possible protein-ligand and protein-protein orientations. I have developed shape descriptors which can be used by the DOCK program to explore and evaluate possible orientations. My current method uses the solid angle of the surface to identify shape-based regions on the protein surface. Graphical programs such as MidasPlus are used to examine the surfaces and project the solid angle values onto the surface by varying the color of the surface.