Basking in Big Data

The Morse-Smale complex allows scientists to study molecular surfaces, such as the one shown here, in useful ways. For instance, the surface of this molecule contains peaks and troughs, which are important in how it interacts with other molecules. The software algorithm developed by researchers at the University of California, Davis, and Lawrence Livermore National Laboratory can identify the deepest cavities (green dots) and highest protrusions (blue dots) that fall within any boundary (yellow lines) defined by the researchers.

Photo Credit: Attila Gyulassy/UC Davis

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