作者: André Filipe Ferreira , Rodrigo José Lopes , Pedro Nuno Simões , None
DOI: 10.1007/978-94-007-6010-3_10
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摘要: Like in many other research fields, scientific simulation has been established as a crucial element the design technology of drug delivery systems. Modern multi-scale modeling and techniques, supported by advanced high-performance computational resources, form cost-effective complement and/or alternative to experimentally based trial-and-error approach traditionally used development new drugs. This chapter gives short overview application modern techniques within context Different approaches will be considered depending on quality scale organization matter, ranging from picometers nanoscale beyond. Molecular tools put perspective their important role drugs behavior. Such enables engineering tailored carriers for specific drug, optimization its effectiveness, well understanding at an atomistic level how they interact with surroundings. The flow models systems systematically addressed hydrophobic hydrophilic molecules. current transport applying state-of-art fluid dynamics also described release mechanism diffusion, swelling erosion-controlled Finally, brief prospective view underlying methods given.