Molecular dynamics simulations in explicit water are completed to review the
Molecular dynamics simulations in explicit water are completed to review the binding of 6 inhibitors to HIV-1 protease (PR) for 700?ns using the typical AMBER push field and polarized protein-specific charge (PPC). W301, inhibitors with PR are additional analyzed and talked about. The present research provides important info to quantitative understanding the connection system of … [Read more…]