Computer Simulation in Molecular Biomedicine


© Adam Hughes
Articles in this Topic    Discussions in this Topic

Recent decades have brought an increased recognition of the diseases from which humans suffer, the debilitating effects they can have on our lives, and the role that vigorous scientific inquiry can play in their prevention and control.

Because searching for medicinal solutions has been such a lucrative endeavor in terms of both monetary rewards and health benefits, hordes of data now exist from the countless man-hours spent inthe study of biomedicine. To be fully utilized, this data needs to be mined for interconnections that may lead to important insights for future work. In addition to this situation, there are numerous areas of biomedicinal study that, if more completely understood, could lead to important breakthroughs in disease control.

Unfortunately, some of these problems require knowledge in areas of the biomedical spectrum that aren't necessarily available to traditional techniques. To overcome these and other hurdles, it is crucial that biomedical scientists include state-of-the-art computational techniques in their arsenal of research tools. Probably even more importantly, researchers must continue to push the envelope of algorithm and simulation development in the quest for understanding.

As with those in most fields in which simulation is relied on, biomedical scientists have identified major areas of computational technology for targeted improvement efforts in the coming years. Not surprisingly, the computational goals of these researchers fall in line with those of other simulation workers. In particular, the main focus for improvement will be on performing simulations over a larger time scale, increasing the size of systems which can be realistically and feasibly simulated, improving the quality of structural predictions for biochemical species and combining classical and quantum chemical computational techniques in simulation studies. These points have been discussed in this space before in the context of other areas of study, but a brief review of their importance is illustrative.

The time scale of a simulation will probably always be a limiting factor. Many biological processes happen on a scale of milliseconds to seconds, if not longer. While these time slices may seem tiny to humans, they are literally almost an eternity to time-dependent simulation techniques, which often utilize timestep on the order of a femtosecond (1 second = 1,000,000,000,000,000 femtoseconds!). In order to examine some of the most interesting biomedical problems, the accessible time scale needs to be beefed up through a combination of increased hardware power, utilization of parallel computing techniques and improved algorithms.

Closely related to the issue of time scale is the size of the

Go To Page: 1 2


Post this Article to facebook Add this Article to del.icio.us! Digg this Article furl this Article Add this Article to Reddit Add this Article to Technorati Add this Article to Newsvine Add this Article to Windows Live Add this Article to Yahoo Add this Article to StumbleUpon Add this Article to BlinkLists Add this Article to Spurl Add this Article to Google Add this Article to Ask Add this Article to Squidoo