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Rerank Score Before Align: Lampiran 1) Senyawa Etoposida
Rerank Score Before Align: Lampiran 1) Senyawa Etoposida
1) Senyawa Etoposida
- Ikatan Hidrogen
- Interaksi Sterik
2) Senyawa 2A
- MM2 Minimization
Pi System: 22 15 1 2 3 4 6 5 19 8 10 9 11 13 12 16 17 21 18 23 24
Iteration 412: Minimization terminated normally because the gradient norm is less than the
minimum gradient norm
Stretch: 2.3368
Bend: 17.1253
Stretch-Bend: 0.1348
Torsion: 10.8536
Dipole/Dipole: 3.5873
Calculation completed
- MMFF94 Minimization
Iteration 269: Minimization terminated normally because the gradient norm is less than the
minimum gradient norm
Calculation completed
- Non Align
- Align
3) Senyawa 2B
- Sebelum Align
6) Senyawa 2E
7) Senyawa 2F