Nanome scientists are joined by Dr. Robert Pearlstein and Dr. Hongbin Wan, of Novartis, who share with us their recent publication on the application of biodynamics theory to characterize the structural dynamics of substrate-induced activation under non-equilibrium conditions. Biodynamics is a first principles multi-scale physics-based theory on the general mechanisms by which cellular functions are conveyed by dynamic multi-molecular/ionic systems and by which molecular and multi-molecular systems are powered by covalent and non-covalent forms of free energy (solvation free energy in the latter case). In this video, we cover the transduction of solvation free energy into dynamic molecular structure and drug-target binding exemplified by COVID Mpro inhibition.

Reference: Wan, H., Aravamuthan, V. & Pearlstein, R. A. Probing the dynamic structure-function and structure-free energy relationships of the corona virus main protease with Biodynamics theory. http://biorxiv.org/lookup/doi/10.1101... (2020) doi:10.1101/2020.07.19.211185.