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![[Figure 2]](dz5393fig2mag.jpg)
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Figure 2
Example of the graph explored by the A* search. The first node v1 is visited and checked for collisions. It represents the lowest energy conformation of residue v but clashes with conformation w1 and cannot be a terminal node. There are two options: either we choose to keep v1 and find a nonclashing conformation of w (w4) or we move to the next conformation of v. The estimated cost of moving to v2 is 5, whereas that of remaining at v1 is 7. v2 is therefore selected. At this point the following moves are possible: go to v3 (cost 8), keep v2 (cost 13) or skip to v1 and w4 (cost 7). Because of the lowest cost the last possibility is explored with further options, w5 (9) and u3 (10), and previous ones, v3 (8) and v2 (13). v3 is selected and w2 is evaluated for clashes. Because this does not form any additional collisions it is marked as a terminal node, its estimated cost is used to set Elow = Eself_x, it is possible to eliminate all other conformations based on the criterion in (7) ![[link]](../../../../../../logos/arrows/d_arr.gif) (other evaluated options have costs higher than the final cost of a terminal node) and the selected path leading to the green node is the best solution. During graph exploration, the nodes marked in yellow or green are evaluated for clashes while those in white are not. |
![[Figure 2]](dz5393fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
