A simple ansatz to describe thermodynamic quantities of peptides and proteins at low temperatures
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چکیده
We describe a simple ansatz to approximate the low temperature behavior of proteins and peptides by a mean-field-like model which is analytically solvable. For a small peptide some thermodynamic quantities are calculated and compared with numerical results of an all-atoms simulation. Our approach can be used to determine the weights for a multicanonical simulation of the molecule under consideration.
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تاریخ انتشار 1997