The
predictive power of simulation is used often in all modern
economies. Computer aided design is used in almost all industries. In
aeronautical engineering, both infrastructure builds and materials
manufacturing use simulations routinely to computer performance of potential
designs before they are built. This predictive power of simulations
is used often because new ideas can be investigated with very little
risk. This being said, accurate weather forecasting is essential to
guide domestic and military flight paths and therefore these simulations are
critical enough to have implications for national security.
However, in pharmaceutical and biotechnological industries, application of
computer simulations is limited to the capabilities of our technology with
respect to the complexity of molecular biology and human
physiology. Over the last 30 years, molecular-modelling tools have
gradually gained a degree of acceptance in the pharmaceutical industry.
Drug discovery has begun to benefit from physics-based simulations. While such
simulations we have great potential for improved molecular design, however much
skepticism remains about their value. Structural biology provides the basis for
our understanding of biological mechanisms, including diseases caused by
mutations and infection, and the design of potential therapies. The concept of
a specific binding pocket with the correct shape and chemical complementarity
to accommodate a drug. The soft mechanics of biomolecules is vital to
their function. It enables them to act as molecular switches and machines.
As biomedical type interventions become more sophisticated, like the use of antibody-drug conjugates, smart drug-delivery vehicles and other biologics, new types of computer models that optimize design parameters are necessary. Engineering capabilities have been enhanced by computer models throughout industry, computer hardware, software and methods for standardization and validation have enabled aerodynamics and weather modelling to become embedded in the research culture in these fields. Quantitative biomolecular simulations promise equivalent benefits and may not be far behind.
Jeff,
ReplyDeleteNice summary, but don't forget your citations please. I do like to take a peak at the sources.