Current protein forcefields like the ones seen in CHARMM or Xplor-NIH have many terms that include bonded and non-bonded terms. Yet the forcefields do not take into account the use of hydrogen bonds which are important for secondary structure creation and stabilization of proteins. SCOPE is an open-source program that generates proteins from rotamer space. It then creates a forcefield that uses only non-bonded and hydrogen bond energy terms to create a profile for a given protein. The profiles can then be used in an artificial neural network to create a linear model that is funneled to the true protein conformation.
@article{arxiv.2003.05406,
title = {An Artificial Neural Network Based Approach for Identification of Native Protein Structures using an Extended ForceField},
author = {Timothy Matthew Fawcett and Stephanie Irausquin and Mikhail Simin and Homayoun Valafar},
journal= {arXiv preprint arXiv:2003.05406},
year = {2020}
}