Simulation of peptide folding with explicit water?a mean solvation method
نویسندگان
چکیده
منابع مشابه
Rapid boundary element solvation electrostatics calculations in folding simulations: successful folding of a 23-residue peptide.
Solvation effects play a profound role in the energetics of protein folding. While a continuum dielectric model of solvation may provide a sufficiently accurate estimate of the solvation effects, until now this model was too computationally expensive and unstable for folding simulations. Here we proposed a fast yet accurate and robust implementation of the boundary element solution of the Poiss...
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ژورنال
عنوان ژورنال: Proteins: Structure, Function, and Genetics
سال: 1999
ISSN: 0887-3585,1097-0134
DOI: 10.1002/(sici)1097-0134(19990215)34:3<295::aid-prot3>3.0.co;2-t