ff-ncaa force field is is a set of self-consistent AMBER forcefield parameters for non-canonical amino acids. It allows you to design and derivatize peptides containing NCAAs for use as drugs.

Parameters obtained by QM and AMBER ff03.

Source: http://selene.princeton.edu/FFNCAA/multi.html


Related publications:

i) Khoury, G.A., Smadbeck, J., Tamamis, P., Vandris, A.C., Kieslich, C.A., and Floudas, C.A. Forcefield_NCAA: Ab Initio Charge Parameters to Aid in the Discovery and Design of Therapeutic Proteins and Peptides with Unnatural Amino Acids and Their Application to Complement Inhibitors of the Compstatin Family. ACS Synthetic Biology 2014 DOI: 10.1021/sb400168u

