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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 3. Use of Many Proteins in Optimization

✍ Scribed by Ołdziej, Stanisław; Ła̧giewka, Justyna; Liwo, Adam; Czaplewski, Cezary; Chinchio, Maurizio; Nanias, Marian; Scheraga, Harold A.


Book ID
127343264
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
206 KB
Volume
108
Category
Article
ISSN
0022-3654

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Determination of side-chain-rotamer and
✍ Urszula Kozłowska; Gia G. Maisuradze; Adam Liwo; Harold A. Scheraga 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 674 KB

## 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