This Perspective reviews the use of Transition Path Sampling methods to study
enzymatically catalyzed chemical reactions. First applied by our group to an enzymatic …

The task of adapting enzymes for specific applications is often hampered by our incomplete
ability to tune and tailor catalytic functions, particularly when seeking increased activity …

The influence of protein motions on enzyme catalysis remains a topic of active discussion.
Protein motions occur across a variety of time scales, from vibrational fluctuations in …

β-Lactamases are a class of well-studied enzymes that are known to have existed since
billions of years ago, starting as a defense mechanism to stave off competitors and are now …

Hypertrophic cardiomyopathy is one of the most common forms of genetic cardiomyopathy.
Mavacamten is a first-in-class myosin modulator that was identified via activity screening on …

It is hoped that artificial enzymes designed in laboratories can be efficient alternatives to
chemical catalysts that have been used to synthesize organic molecules. However, the …

Despite initial resistance, it has been increasingly accepted that protein dynamics plays a
role in enzymatic catalysis. There have been two lines of research. Some works study slow …

Cardiac muscle function is critical for the heart to function properly but the complex
mechanism behind it is still not well understood, especially at the molecular level …