Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]

Enhanced sampling algorithms have emerged as powerful methods to extend the utility of molecular dynamics simulations and allow larger portions configuration space complex systems in a given amount simulation time. This review aims present unifying principles differences between many computational currently used for enhanced biomolecules, soft matter crystals. In fact, despite apparent abundance divergence such methods, at their core can be boiled down relatively limited number statistical physical concepts. To enable comparisons, various are introduced using similar terminology notation. We then illustrate which ways different combine features small same is intended scientists with an understanding basics physics who want deeper ideas that underlie relationships them. living updated continue reflect wealth they emerge literature.