Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculations.
Lu WangYong DuanPieter F. W. StoutenGeorge V. De LuccaRonald M. KlabePeter A. KollmanPublished in: J. Comput. Aided Mol. Des. (2001)