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arxiv: cond-mat/9710248 · v1 · pith:JXB5X6YRnew · submitted 1997-10-23 · ❄️ cond-mat · hep-lat· q-bio

A simple ansatz to describe thermodynamic quantities of peptides and proteins at low temperatures

classification ❄️ cond-mat hep-latq-bio
keywords ansatzdescribepeptidesproteinsquantitiessimplesimulationthermodynamic
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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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