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...
Na minha lista:
Autor principal: | |
---|---|
Formato: | Livro |
Publicado em: |
College of Pharmacy / Mustansiriyah University,
2022-10-01T00:00:00Z.
|
Assuntos: | |
Acesso em linha: | Connect to this object online. |
Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|
Internet
Connect to this object online.3rd Floor Main Library
Área/Cota: |
A1234.567 |
---|---|
Cód. Barras: 1 | Disponível |