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. 2000 May 23;97(11):6155–6160. doi: 10.1073/pnas.97.11.6155

Table 1.

The fitness score, the number of pharmacophore point, and internal energy of 10 gasp alignments of 12-(S)-HPETE and capsaicin

gasp  alignment Fitness score Pharmacophore point Internal energy*
1 1,699 3 297 
2 1,982 4 498 
3 1,842 3 1,490 
4 1,964 4 73 
5 2,117 5 928 
6 1,991 3 185 
7 2,041 4 211
8 1,680 4 546 
9 1,900 4 453 
10 1,834 3 76 
*

Internal energy was calculated using a Lennard-Jones 6–12 potential (19, 20).