Using molecular dynamics, a richer pharmacophore model that includes information about flexibility and conformational space of the molecules can be created. This is called a dynophore. The thesis discusses the application of dynophores and how they are created employing the DynophoreApp software.
The DynophporeApp was created using Java and the LiganScout framework, and the thesis goes into some detail of how it was implemented (it describes classes that were used, etc.).
Sydow, Dominique. “Dynophores: Novel Dynamic Pharmacophores,” PhD Thesis, 2015.
Using molecular dynamics, a richer pharmacophore model that includes information about flexibility and conformational space of the molecules can be created. This is called a dynophore. The thesis discusses the application of dynophores and how they are created employing the DynophoreApp software.
The DynophporeApp was created using Java and the LiganScout framework, and the thesis goes into some detail of how it was implemented (it describes classes that were used, etc.).