Computational drug delivery: Molecular Simulation for Pharmaceutical Formulation

The book bridges the gap between pharmaceutics and molecular modelling at the micro, meso and macro scale. It covers Lipinski's rule of five, nanoparticulate drug delivery, computational prediction of drug solubility and ability to cross blood brain barrier, computer-based simulation of pharmacokinetic parameters, virtual screening of mucoadhesive polymers, QSPR modelling, designing of 2D nanomaterials and role of principal component analysis. • Computer-aided development of innovative, efficient and safe pharmaceutical formulations. • Case studies of computer applications in formulation designing and characterization. • Excellent read for researchers and students in the field of drug delivery.