## 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
Protein Coarse-Grain Potentials for Folding Simulations
✍ Scribed by Betancourt, Marcos R.
- Book ID
- 122278948
- Publisher
- Biophysical Society
- Year
- 2009
- Tongue
- English
- Weight
- 36 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0006-3495
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## 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
## Abstract Protein folding is an important and challenging problem in molecular biology. During the last two decades, molecular dynamics (MD) simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics, and structure–stability–f