Scientists at the U.S. Department of Energy's (DOE) Argonne National Laboratory have developed techniques to create accurate movies of biological and chemical molecules. Scientists using the high-intensity X-rays at the Advanced Photon Source have measured images that are "blurred" by these motions and have used them to create more accurate movies of molecular motions.
Biological and organic molecules in solution are far more complex than the standard crystalline structures of salt or metals, since they are constantly moving and changing over time. Researchers have not had a means to check the accuracy of computer simulations - currently the only way to visualize molecular motions in solution - for complex molecules. The new X-rays enable scientists to see the movements first-hand and compare them to their theoretical counterparts.
"The blurring that we see in our solution X-ray patterns is remarkably sensitive to the type of the molecular motion," said senior chemist David Tiede. "For the first time, we are able to test the accuracy of the simulation, and change it to fit data better. Without it, we had no way of knowing how accurate the models were." Tiede hopes an improved accuracy in molecular modeling will give insights into the structure and behavior of the molecules.
