Structural studies in biology provide invaluable insights into how molecular machines inside our cells look like, yet the stories are often far from over. The set of atomic coordinates of a macromolecule is like a picture: it’s worth a thousand words. Then again, a picture lacks the temporal information which underlies the dynamic personalities of the molecule. Over the last several decades, exponential growth in computing power drew increasingly more physical scientists toward questions of life sciences. Faster algorithms and more accurate interaction potentials have been developed to propagate the Newtonian equations of motion in length- and timescales relatable to biological phenomena. In this lecture, I will discuss an often frowned upon analogy, i.e., how a molecular simulation can be thought of as an in silico experiment, by providing a historical and physical perspective.
RSG-Turkey is a member of The International Society for Computational Biology (ISCB) Student Council (SC) Regional Student Groups (RSG). We are a non-profit community composed of early career researchers interested in computational biology and bioinformatics.