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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
; | | Date: |
23 Oct 1997 | | Journal: | Int.J.Mod.Phys.C 8 (1997) 1085-1094 | | Subject: | cond-mat hep-lat q-bio | | Affiliation: | Inst. for Molecular Science, Okazaki, Japan) and Philippe de Forcrand (SCSC, ETH Zurich, Switzerland | | 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. | | Source: | arXiv, cond-mat/9710248 | | Services: | Forum | Review | PDF | Favorites | |
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