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Molecular Dynamics with the United-Residue Force Field: Ab Initio Folding Simulations of Multichain Proteins

✍ Scribed by Rojas, Ana V.; Liwo, Adam; Scheraga, Harold A.


Book ID
126278219
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
748 KB
Volume
111
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