The geometry of protein folding
Protein folding is a notoriously hard problem to study, both theoretically and experimentally. A pair of Physicists at the Università di Firenze, in Italy, has found a way of representing it as a motion in curved space of possible protein configurations. They publish their results in Physical Review Letters.
We study the geometric properties of the energy landscape of coarse-grained, off-lattice models of polymers by endowing the configuration space with a suitable metric, depending on the potential energy function, such that the dynamical trajectories are the geodesics of the metric. Using numerical simulations, we show that the fluctuations of the curvature clearly mark the folding transition, and that this quantity allows to distinguish between polymers having a proteinlike behavior (i.e., that fold to a unique configuration) and polymers which undergo a hydrophobic collapse but do not have a folding transition. These geometrical properties are defined by the potential energy without requiring any prior knowledge of the native configuration.
Full article can be found here.