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Physics-based side-chain-rotamer and side-chain and backbone virtual-bond-stretching potentials for coarse-grained UNRES force field. 2. Comparison with statistical potentials and implementation

Using the harmonic-approximation approach of the accompanying paper 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 with side chains....

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Detaylı Bibliyografya
Asıl Yazarlar: Kozłowska, Urszula, Maisuradze, Gia G., Liwo, Adam, Scheraga, Harold A.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2010
Konular:
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC2849738/
https://ncbi.nlm.nih.gov/pubmed/20017135
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21402
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