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Simple physics-based analytical formulas for the potentials of mean force of the interaction of amino-acid side chains in water. VI. Oppositely-charged side chains

The two-site coarse-grained model for the interactions of charged side chains, to be used with our coarse-grained UNRES force field for protein simulations proposed in the accompanying paper, has been extended to pairs of oppositely-charged side chains. The potentials of mean force of four pairs of...

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Hlavní autoři: Makowski, Mariusz, Liwo, Adam, Scheraga, Harold A.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2011
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3093716/
https://ncbi.nlm.nih.gov/pubmed/21500791
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp111259e
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