A Simple Ansatz to Describe Thermodynamic Quantities of Peptides and Proteins at Low Temperatures
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.
- Publication:
-
International Journal of Modern Physics C
- Pub Date:
- 1997
- DOI:
- 10.1142/S0129183197000953
- arXiv:
- arXiv:cond-mat/9710248
- Bibcode:
- 1997IJMPC...8.1085H
- Keywords:
-
- Mean-Field-Like Model For Proteins;
- Multicanonical Weights;
- Condensed Matter;
- High Energy Physics - Lattice;
- Quantitative Biology
- E-Print:
- 11 pages, Latex, 4 Postscript figures, to appear in Int. J. Mod. Phys. C (1997)