|
Effects of the omission of each energy calculation component from the DFMAC function. |
|||||||||
| omitted component |
Rnat |
Cα RMSD |
Z-score |
C.C. |
F.E.(%) |
logPB1 |
logPB10 |
C.C.decoy |
F.E.decoy(%) |
|
|
|||||||||
| none |
6.8 |
1.174 |
2.630 |
0.559 |
38.7 |
-0.75 |
-1.41 |
0.518 |
25.1 |
| DIST |
6.9 |
1.087 |
2.687 |
0.547 |
38.1 |
-0.76 |
-1.40 |
0.508 |
25.4 |
| DABG |
16.2 |
2.444 |
2.062 |
0.554 |
36.9 |
-0.69 |
-1.40 |
0.507 |
25.8 |
| HBND |
6.0 |
1.301 |
2.523 |
0.558 |
39.3 |
-0.76 |
-1.44 |
0.520 |
26.5 |
| PPDA |
6.7 |
1.197 |
2.617 |
0.558 |
39.1 |
-0.75 |
-1.44 |
0.518 |
25.0 |
| OMDA |
12.0 |
1.036 |
2.582 |
0.555 |
39.5 |
-0.76 |
-1.42 |
0.517 |
25.4 |
| SURR |
11.6 |
1.519 |
2.737 |
0.487 |
35.2 |
-0.68 |
-1.37 |
0.442 |
22.0 |
|
The measures are as described in Table 3. The average scores over the test set are shown by the omitted component. | |||||||||
Makino and Itoh BMC Structural Biology 2008 8:46 doi:10.1186/1472-6807-8-46 |
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