|
发表于 2015-6-30 11:33:56
|
显示全部楼层
The DOCK 6.x and DOCK 3.x families, of which the former has focused more on accurate prediction of ligand geometries and adopted a wider range of scoring functions. Meanwhile, the DOCK 3.x programs have cleaved more tightly to physics-based scoring functions with fewer terms, and have focused on optimizing for the speed necessary to tackle large library screens. |
|