| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5391869 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
The inclusion of charge fluxes in our molecular mechanics energy function (SDFF) yields a Ï peptide torsion potential in agreement with ab initio with only a single threefold (almost zero barrier) Fourier term.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Kim Palmo, Berit Mannfors, Noemi G. Mirkin, Samuel Krimm,