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

Ulrich H. E. Hansmann·Philippe de Forcrand
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Abstract

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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Ulrich H. E. Hansmann, Philippe de Forcrand. 1997-10-23. A simple ansatz to describe thermodynamic quantities of peptides and proteins at low temperatures. https://doi.org/10.1142/s0129183197000953

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