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

ETH Zurich; Japan); Okazaki; Philippe de Forcrand (SCSC; Switzerland); Ulrich H.E. Hansmann (Inst. for Molecular Science

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

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arxiv cond-mat/9710248 v1 pith:JXB5X6YR submitted 1997-10-23 cond-mat hep-latq-bio

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

Ulrich H.E. Hansmann (Inst. for Molecular Science , Okazaki , Japan) , Philippe de Forcrand (SCSC , ETH Zurich , Switzerland) This is my paper

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.

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

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