Prediction of HIV-1 protease inhibitor resistance by Molecular Modeling Protocols (MMPs) using GenMol™ software

GenMol™ software is used for predicting HIV-1 Protease Inhibitor (PI) resistance. (i) The Molecular Modeling Phenotype Protocol (MMPP) considers the difference ΔE between (PI + wild protease WP) and (PI + mutated protease MP) binding energies. (ii) The Molecular Modeling Genotype-Phenotype Protocol (MMGPP) considers the difference ΔIE between (PI + wild residue WR) and (PI + mutated residue MR) interaction energies.