Conventional de novo drug design is time consuming, laborious, and resource intensive. In
recent years, emerging in silico approaches have been proven to be critical to accelerate the …

Single-molecule force spectroscopy with the atomic force microscope provides molecular
level insights into protein function, allowing researchers to reconstruct energy landscapes …

Current activity in, and future prospects for, the incorporation of mechanochemically active
functional groups (“mechanophores”) into polymers is reviewed. This area of research is …

The success of single-molecule (SM) experiments critically depends on the functional
immobilization of the biomolecule (s) to be studied. With the continuing trend of combining …

Optical biosensor technology continues to be the method of choice for label‐free, real‐time
interaction analysis. But when it comes to improving the quality of the biosensor literature …

The effect of surface hydrophobicity and side-chain variation on xyloglucan adsorption onto
cellulose microfibrils (CMF) is investigated via molecular dynamics simulations. A molecular …

Thermalized chemical reactions driven under dynamical load are characteristic of activated
dynamics for arbitrary nonautonomous systems. Recent generalizations of transition state …

Single molecule force spectroscopy presents a deceptively simple approach to probing
interaction between molecules and molecular assemblies on the nanoscale by measuring …

A system's configurational state can be manipulated using dynamic variation of control
parameters, such as temperature, pressure, or magnetic field; for finite-duration driving …

The time-dependent geometrical separatrices governing state transitions in field-induced
ketene isomerization are constructed using the method of Lagrangian descriptors. We obtain …