Implicit treatment of solvent dispersion forces in protein simulations
نویسندگان
چکیده
منابع مشابه
Implicit Solvent Models for Simulations
A statistical thermodynamic development is given of a new implicit solvent model that avoids the traditional system size limitations of computer simulation of macromolecular solutions with periodic boundary conditions. This implicit solvent model is based upon the quasi-chemical approach, distinct from the common integral equation trunk of the theory of liquid solutions. The idea is geometrical...
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This chapter was originally published in the book Annual Reports in Computational Chemistry, Volume 4. The copy attached is provided by Elsevier for the author’s benefit and for the benefit of the author’s institution, for noncommercial research, and educational use. This includes without limitation use in instruction at your institution, distribution to specific colleagues, and providing a cop...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2014
ISSN: 0192-8651
DOI: 10.1002/jcc.23655