Evaluating the Reliability of MM-PB/GB-SA Method for the Protein-Ligand Binding Free Energies Using Penicillopepsin-Inhibitor ligands
An accurate prediction of the ligand-receptor binding free energies (ΔG) is a critical step in the early stages of rational drug design. The Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) method is a popular approach to estimate ΔG. However, correlations between the predicted and the...
Kaydedildi:
| Yazar: | |
|---|---|
| Materyal Türü: | Kitap |
| Baskı/Yayın Bilgisi: |
College of Pharmacy / Mustansiriyah University,
2022-10-01T00:00:00Z.
|
| Konular: | |
| Online Erişim: | Connect to this object online. |
| Etiketler: |
Etiketle
Etiket eklenmemiş, İlk siz ekleyin!
|
Internet
Connect to this object online.3rd Floor Main Library
| Yer Numarası: |
A1234.567 |
|---|---|
| Kopya Bilgisi 1 | Kütüphanede |