Affinity Chromatography is a separation technique based upon molecular conformation, which frequently utilizes application specific resins.

The effective energy transformation scheme as a special continuation approach to global optimization with application to molecular conformation.

The equilibrium of two molecular conformations is determined by the difference in Gibbs free energy of the two conformations.

Enthalpy is typically the more important thermodynamic function for determining a more stable molecular conformation.

An alternative approach uses multiple-instance learning by encoding molecules as sets of data instances, each of which represents a possible molecular conformation.

For example, the possibility of unsynthesized compounds can be imagined from those of known molecular conformations.

In polymer science, however, there is yet no formal procedure for relating changes in molecular conformation to specific features of the mechanical spectrum.

It should be remembered that atomic charges depend on the molecular conformation.

The representative atomic charges for flexible molecules hence should be computed as average values over several molecular conformations.

As usual in statistical mechanics, these states correspond to ensembles of molecular conformations, not just one conformation.