Nowadays, it is noticed that the research trend is looping towards interdisciplinary approach like Connecting Physical dynamics to biological structure and their data obtained from diverse experimental sources for example molecular dynamics simulations helps to explore and study of biological phenomena in unparalleled fashion.
With necessary updates on simulations techniques leading towards the high resolution (up to atomic level) descriptions of biological molecules/systems into the million-to-billion atom regime, in which numerous cell functions reside.
In this process, we review the trajectory of the entire process, driven by simple law of motion (F=ma) of large-scale molecular dynamics simulations.
Fig: VMD Image of Human Serum Albumin
So, new research finds says about utility of molecular dynamics simulations in the critical task of relating atomic level detail to the function of large structure molecular complexes which is a task that cannot be simply achieved by smaller-scale simulations or existing experimental approaches used before.