Modellerine

Modellerine is a term used in computational modeling and education to denote a generic reference molecule and a standard modeling workflow. It does not refer to a real compound in published chemical catalogs; rather, it serves as an illustrative placeholder to demonstrate principles of molecular design, energy evaluation, and structure generation. In teaching contexts, Modellerine is described as a small organic molecule with flexible geometry and functional groups that can be altered to showcase different modeling scenarios. Its exact formula is intentionally non-specific, allowing instructors to discuss methods without tying discussions to proprietary data.

In practice, researchers and educators use Modellerine in exercises for conformational analysis, force-field selection, energy minimization, docking simulations, and visualization pipelines. Software packages often include Modellerine as an example dataset or as a tutorial input to illustrate workflows without exposing real-world molecules. The term helps focus attention on the mechanics of the modeling process rather than on particular chemical identities, making it useful across disciplines such as chemistry, biochemistry, and materials science.

Origin and adoption: Modellerine appears in university curricula, online tutorials, and documentation for teaching software in computational chemistry and molecular modeling since the early 2000s. It remains a convenient reference point for explaining concepts related to model construction, validation, and interpretation.

See also: Modeller, MODELLER (protein structure modeling).