Self‐healing is a natural process common to all living organisms which provides increased
longevity and the ability to adapt to changes in the environment. Inspired by this fitness …

All-atom molecular dynamics simulations have become increasingly popular as a tool to
investigate protein function and dynamics. However, researchers are concerned about the …

As the field of colloidal science continues to expand, tools for rapid and accurate
physiochemical characterization of colloidal particles will become increasingly important …

In the host of numerical schemes devised to calculate free energy differences by way of
geometric transformations, the adaptive biasing force algorithm has emerged as a promising …

In free energy calculations based on thermodynamic integration, it is necessary to compute
the derivatives of the free energy as a function of one (scalar case) or several (vector case) …

A new implementation of the adaptive biasing force (ABF) method is described. This
implementation supports a wide range of collective variables and can be applied to the …

Proper use of the adaptive biasing force (ABF) algorithm in free-energy calculations needs
certain prerequisites to be met, namely, that the Jacobian for the metric transformation and …

Paleogenomics continues to yield valuable insights into the evolution, population dynamics,
and ecology of our ancestors and other extinct species. However, DNA sequencing cannot …

Modular proteins such as titin, fibronectin, and cadherin are ubiquitous components of living
cells. Often involved in signaling and mechanical processes, their architecture is …

Myofibril elasticity, critical to muscle function, is dictated by the intrasarcomeric filament titin,
which acts as a molecular spring. To date, the molecular events underlying the mechanics of …