Nama : Hanifa Hanun

NIM :141810301024
Kimia Komputasi
Group UAS-C
Binding Binding
Ligand Target Energy Energy Date Created Info
terendah tertinggi
2017.06.05
CMYALGS protein -8 -7,4 Vina
13:13:14
2017.06.05
CMYALSG protein -8.1 -6,9 Vina
13:51:40
2017.06.05
CMYLAGS protein -9 -7,9 Vina
14:30:33
2017.06.05
CMYLASG protein -8.4 -7,3 Vina
15:08:19
2017.06.05
CMYSGLA protein -8.3 -7,2 Vina
15:43:32
2017.06.05
CSMYALG protein -8.1 -7,1 Vina
16:17:08
2017.06.05
CYASMGL protein -8.8 -7,4 Vina
16:54:20
2017.06.05
Enalapril protein -8.5 -8 Vina
16:57:06
2017.06.05
lisinopril protein -8.3 -7,5 Vina
17:02:47
2017.06.05
RXPA380 protein -10.9 -10,1 Vina
17:14:12

1. Energi terendah dimiliki oleh ligan RXPA380 dengan binding affinity terbesar yaitu
-10,9 kcal/mol.
2. Sedangkan energi tertinggi dimiliki ligan CMYALGS dengan besar nilai binding
affinity -8 kcal/mol.
3. Lama running untuk kesembilan ligand tersebut yaitu 4 jam 38 menit 52 detik.
 Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_CMYALGS -8 0 0
protein_CMYALGS -7.9 6.837 2.729
protein_CMYALGS -7.7 9.41 2.961
protein_CMYALGS -7.7 6.361 2.562
protein_CMYALGS -7.6 5.736 2.626
protein_CMYALGS -7.5 7 2.764
protein_CMYALGS -7.4 6.748 2.536
protein_CMYALGS -7.4 8.54 2.294
protein_CMYALGS -7.4 7.23 2.632
rata-rata -7.622222222 6.429111111 2.344888889
standart deviasi 0.222361068 2.655076809 0.897844564

Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_CMYALSG -8.1 0 0
protein_CMYALSG -8 7.391 3.038
protein_CMYALSG -7.5 3.141 1.873
protein_CMYALSG -7.5 6.905 3.404
protein_CMYALSG -7.4 8.684 4.019
protein_CMYALSG -7.4 9.037 3.6
protein_CMYALSG -7.3 3.887 2.568
protein_CMYALSG -7.1 9.349 3.471
protein_CMYALSG -6.9 19.421 14.877
rata-rata -7.466666667 7.535 4.094444444
standart deviasi 0.384057287 5.453815155 4.220848052
 Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_CMYLAGS -9 0 0
protein_CMYLAGS -8.5 3.446 1.885
protein_CMYLAGS -8.4 8.723 3.378
protein_CMYLAGS -8.4 10.192 3.278
protein_CMYLAGS -8.4 9.466 3.141
protein_CMYLAGS -8.3 5.28 2.36
protein_CMYLAGS -8.3 9.064 2.915
protein_CMYLAGS -8.3 10.304 3.012
protein_CMYLAGS -7.9 9.373 2.962
rata-rata -8.388888889 7.316444444 2.547888889
standart deviasi 0.284800125 3.600945574 1.06431004

Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_CMYLASG -8.4 0 0
protein_CMYLASG -8.3 9.237 3.332
protein_CMYLASG -7.9 9.441 3.278
protein_CMYLASG -7.9 4.69 2.331
protein_CMYLASG -7.7 9.429 3.277
protein_CMYLASG -7.6 9.962 3.422
protein_CMYLASG -7.4 6.254 2.789
protein_CMYLASG -7.3 4.1 2.268
protein_CMYLASG -7.3 20.034 15.443
rata-rata -7.755555556 8.127444444 4.015555556
standart deviasi 0.406543697 5.560842205 4.416111103
 Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_CMYSGLA -8.3 0 0
protein_CMYSGLA -8.1 2.64 1.561
protein_CMYSGLA -7.8 9.236 2.977
protein_CMYSGLA -7.8 4.595 2.446
protein_CMYSGLA -7.6 7.422 3.717
protein_CMYSGLA -7.4 4.346 2.228
protein_CMYSGLA -7.3 5.366 2.664
protein_CMYSGLA -7.2 6.658 3.388
protein_CMYSGLA -7.2 9.138 2.971
rata-rata -7.633333333 5.489 2.439111111
standart deviasi 0.396862697 3.017138462 1.113617578

Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_CSMYALG -8.1 0 0
protein_CSMYALG -8 8.783 2.903
protein_CSMYALG -7.9 9.252 3.2
protein_CSMYALG -7.6 2.645 1.529
protein_CSMYALG -7.3 4.932 2.246
protein_CSMYALG -7.3 8.87 3.35
protein_CSMYALG -7.2 9.253 3.348
protein_CSMYALG -7.1 8.371 2.527
protein_CSMYALG -7.1 8.26 2.476
rata-rata -7.511111111 6.707333333 2.397666667
standart deviasi 0.398260105 3.386785128 1.075780298
 Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_CYASMGL -8.8 0 0
protein_CYASMGL -8.6 2.98 1.811
protein_CYASMGL -8.5 7.555 3.205
protein_CYASMGL -7.9 10.08 2.635
protein_CYASMGL -7.8 3.839 2.43
protein_CYASMGL -7.6 9.867 2.609
protein_CYASMGL -7.6 4.798 3.182
protein_CYASMGL -7.5 4.186 2.655
protein_CYASMGL -7.4 9.297 3.578
rata-rata -7.966666667 5.844666667 2.456111111
standart deviasi 0.526782688 3.521308138 1.054196903

Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_Enalapril -8.5 0 0
protein_Enalapril -8.5 2.522 1.873
protein_Enalapril -8.4 2.164 1.759
protein_Enalapril -8.3 4.799 2.51
protein_Enalapril -8.2 5.075 2.829
protein_Enalapril -8 5.083 2.831
protein_Enalapril -8 4.193 2.563
protein_Enalapril -8 5.449 3.497
protein_Enalapril -8 4.501 2.348
rata-rata -8.211111111 3.754 2.245555556
standart deviasi 0.220479276 1.815402917 0.990487015
 Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_lisinopril -8.3 0 0
protein_lisinopril -8.1 4.521 2.101
protein_lisinopril -7.9 5.402 1.984
protein_lisinopril -7.9 4.711 2.49
protein_lisinopril -7.9 4.914 2.208
protein_lisinopril -7.8 2.44 2.039
protein_lisinopril -7.6 6.909 4.127
protein_lisinopril -7.6 2.305 1.554
protein_lisinopril -7.5 5.431 2.458
rata-rata -7.844444444 4.070333333 2.106777778
stadart deviasi 0.255495162 2.102085512 1.068031926

Binding
Ligand rmsd/ub rmsd/lb
Affinity
protein_RXPA380 -10.9 0 0
protein_RXPA380 -10.7 7.424 2.12
protein_RXPA380 -10.5 7.646 2.195
protein_RXPA380 -10.5 6.947 2.244
protein_RXPA380 -10.5 7.673 2.2
protein_RXPA380 -10.3 7.901 2.134
protein_RXPA380 -10.1 5.947 2.256
protein_RXPA380 -10.1 7.789 2.011
protein_RXPA380 -10.1 8.907 2.839
rata-rata -10.41111111 6.692666667 1.999888889
standart deviasi 0.284800125 2.631124427 0.785771507
Operating system : Windows 10 Pro 64-bit (10.0, Build 15063)
Processor : Intel Celeron CPU N3350 @ 1.10GHz (2 CPUs), ~1.1GHz
Installed RAM : 2.00 GB (1.83 GB usable)
System Manufacturer : Acer
System Model : Aspire ES1-432
BIOS : V1.08
DirectX Version : DirectX 12