Computational nanoscience and technology

Nanoscience and nanotechnology are the most widely utilized field of science in human healthcare, tissue engineering, food and agriculture. It has several advantages, such as superior surface area and nano-sized molecular structure. Nanomaterial properties like elasticity, mechanical characteristics like hardness, tensile strength, and magnetic and optical properties. It has capability to store high energy, which makes them applicable in the healthcare system. “Executable biology” is applied to the computational model of physiological processes. These models have the advantage of computer science and simulation of pharmacokinetic study. Because of their high potential and computational power, they are widely accepted in pharmaceutical research. US-FDA has tested and utilized computational models in manufacturing various pharmaceutical equipment's that also can be used in drug discovery and manufacturing. These models can create exact validated in vitro and in vivo pharmacological systems, which helps to obtain faster, accurate and more pertinent human data. These models suffer from simplicity, versatility and lack of cumulative research. Multiscale simulations, like the ones based on coarse-graining, are important areas for future research. More significantly, a collaboration between the pharmaceutical industry and computational scientists involved in this field could assist in work in areas wherein molecular dynamic simulations can influence substantially. In this review, different drug target identification models via chemo genomic methods are explained, and the advantages of computational modeling over mathematical model is studied. It also focuses on a wide range of simulation techniques, biomedical applications and challenges of computational modelling. Finally, it gives a brief account of compounds studied using computational modeling and its future perspectives.