Professors Combine High-Tech Experiments with Supercomputing for Better Drug Design

 

A team of three professors has combined high-tech experiments with supercomputing to probe the function of critical enzymes called cytochrome P450s. Understanding the various internal motions these enzymes undergo to bind different drugs will aid in the design of medicines. This is because drug designers will be able to predict how specific drug candidates will interact with these enzymes and whether they will eventually fail due to chemical interaction with P450s in the patients’ cells. For more information, visit the National Institute for Computational Sciences website.

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