
Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations
Keywords: HIV-1 PR; Fullerene derivatives; 3D QSAR; CoMSIA; Molecular docking; Molecular dynamics simulations; LeapFrog de novo drug design