Protein force field paper published in JCTC

Our latest work on the development of a grid-based correction to the backbone dihedral angles in the Amber forcefield has be published in the Journal of Chemical Theory and Computation.

In this paper, we derive a grid-based correction for use with the Amber ff12SB force field in combination with the GBNeck and GBNeck2 implicit solvation models. This correction improves the relative balance of random coil, alpha helix, and beta sheet secondary structures.