Systematic search for pairwise dependencies of torsion angles
✍ Scribed by Christin Schärfer; Tanja Schulz-Gasch; Matthias Rarey
- Book ID
- 115027633
- Publisher
- BioMed Central
- Year
- 2012
- Tongue
- English
- Weight
- 73 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1758-2946
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Simple expressions for the forces due to dihedral-angle interactions are derived using first principles of mechanics. The expressions require significantly fewer numerical operations than those generally used in the literature and provide insight into the physics of dihedral-angle interactions. It i
A new set of formulae is developed for the derivatives of torsion angle energy terms and is introduced into the program CHARMM. These formulae, which are based on derivatives of the torsion angle itself, avoid the singularities introduced by use of the derivatives of the torsion angle cosine. The po