Skip to main content
. 2008 Jun 12;128(22):225106. doi: 10.1063/1.2929833

Table 2.

Contribution of different energy terms in local minima obtained using molecular dynamics∕annealing (MD) and basin-hopping (BH).

PDB Method Length Ex vol Rama Short range Medium range Long range
1r69 MD 63 9.77 −101.64 −128.90 −84.87 −123.28
1r69 BH 63 2.65 −91.06 −125.04 −84.80 −137.57
3icb MD 75 11.74 −127.70 −177.21 −90.11 −153.69
3icb BH 75 4.40 −115.76 −178.47 −83.37 −173.38
1uzc MD 69 10.10 −118.66 −134.00 −90.75 −124.24
1uzc BH 69 2.22 −106.20 −137.95 −92.40 −123.77
1bg8 MD 76 11.68 −136.39 −173.45 −94.40 −76.94
1bg8 BH 76 2.72 −112.13 −151.95 −94.23 −113.09