ABSTRACT

Biomolecular machines made of proteins and RNAs perform and sustain most functions in our bodies. To elucidate their functional mechanisms, there has been a tremendous effort to obtain structural information for these biological molecules. While structure provides important insights, a deeper understanding could be obtained through examination of their dynamical properties and physical interactions within the system. Thus it is bene cial to complement experimental work by theoretical and computational techniques that can directly examine physical interactions, explore dynamics of the biological molecules, and bring useful atomic-level insights into protein functions.