Computing Gibbs free energy differences by interface pinning
نویسندگان
چکیده
منابع مشابه
Gibbs Free Energy Formula for Protein Folding
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Despite the significant advances in free-energy computations for biomolecules, there exists no general method to evaluate the free-energy difference between two conformations of a macromolecule that differ significantly from each other. A crucial ingredient of such a method is the ability to find a path between different conformations that allows an efficient computation of the free energy. In ...
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" Interface free energy is the contribution to the free energy of a system due to the presence of an interface separating two coexisting phases at equilibrium ". It is also called interfacial free energy or surface tension. The content of the article is 1) the definition of the interface free energy from first principles of statistical mechanics; 2) a detailed exposition of its thermodynamical ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2013
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.88.094101