## Abstract Using the harmonic‐approximation approach of the accompanying article and AM1 energy surfaces of terminally blocked amino‐acid residues, we determined physics‐based side‐chain rotamer potentials and the side‐chain virtual‐bond‐deformation potentials of 19 natural amino‐acid residues wit
✦ LIBER ✦
Determination of the Potentials of Mean Force for Rotation about C α −C α Virtual Bonds in Polypeptides from the ab Initio Energy Surfaces of Terminally Blocked Glycine, Alanine, and Proline †
✍ Scribed by Ołdziej, Stanisław; Kozłowska, Urszula; Liwo, Adam; Scheraga, Harold A.
- Book ID
- 126994633
- Publisher
- American Chemical Society
- Year
- 2003
- Tongue
- English
- Weight
- 579 KB
- Volume
- 107
- Category
- Article
- ISSN
- 1089-5639
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## Abstract In this and the accompanying article, we report the development of new physics‐based side‐chain‐rotamer and virtual‐bond‐deformation potentials which now replace the respective statistical potentials used so far in our physics‐based united‐reside UNRES force field for large‐scale simula