Hoja1

2vto bindig energy kcal/mol inhib constant nM

1 -8.4 693.83
2 -8.4 697.05
3 -8.4 698.77
4 -8.39 704.79
5 -8.39 708.79
6 -8.39 709.91
7 -8.38 717.39
8 -8.37 735.06
9 -8.33 782.74
10 -8.28 845.37
11 -7.47 3.35
2tvi 0
4 -9.9 54.97
0-1
0-2
2vtq 0-3
1 -7.82 1.86 0-4
2 -7.8 1.91 0-5
3 -7.79 1.96 0-6
4 -7.78 1.97 0-7
5 -7.78 2 0-8
6 -7.76 2.06 0-9
7 -7.75 2.09 0-10
8 -7.74 2.12 0-11
9 -7.13 5.9 0-12
10 -7.01 7.29 0-13
11 -7 7.34 0-14
12 -7 7.4 0-15
13 -7 7.44 0-16
14 -6.99 7.56
15 -6.98 7.61
16 -6.9 8.75

2tvp
1 -8.14 1.08
2 -8.1 1.15
3 -8.08 1.19
4 -8.06 1.23
5 -8.05 1.26
6 -8.05 1.26
7 -8.04 1.28
8 -8.02 1.32
9 -8.01 1.33
10 -8.01 1.34
11 -7.97 1.45

Pgina 1
 Hoja1

12 -7.92 1.57
13 -7.89 1.66
14 -7.29 4.53
15 -7.23 4.98
16 -7.18 5.44
17 -7.08 6.43

diseo
1 8.99 257.51

Pgina 2
 Hoja1

Ic
experimental calculado
2vti 660 54.97
2vto 1600 693.83
2vtp 3 1.08
2vtq 38 1.86

0.66 660
1.6 1600
0.003 3
0.038 38
2vto 2vti 2vtp 2tq
rms rms rms rms
0.309 0.191
0.325 0.24
1.395 0.162
0.073 1.389
0.174 1.39
1.397 0.021
0.173 0.37
1.381 1.389
0.196 1.397
1.368 0.269
1.53 0.77
1.413
1.419
1.457
2.062
1.8
1.896

Pgina 3