New algorithms speed molecular simulations

Biologists and computer scientists have joined forces to create new algorithms that allow supercomputers to model molecular activity on an unprecedented scale. The technique could enable medical researchers to better predict the impact of drugs on cells "in silico", i.e. before any experiments on cells or animals. The researchers, led by a team at the University of California, San Diego, used a recent mathematical discovery to accelerate hugely the speed at which supercomputers can process the data needed to simulate electrostatic atomic interactions.
http://www.newscientist.com/news/news.jsp?id=ns99991179