A simplified model of a protein in water was introduced in which the degrees of freedom of water appeared explicitly. The model is capable of reproducing all the known properties of proteins such as cold destabilization, warm denaturation, correct free energy, enthalpy and entropy of the folding. Results were validated for different protein lengths, sequences, and parameter values and were found to be consistent.
Putting proteins back into water
Caldarelli G.
2000-01-01
Abstract
A simplified model of a protein in water was introduced in which the degrees of freedom of water appeared explicitly. The model is capable of reproducing all the known properties of proteins such as cold destabilization, warm denaturation, correct free energy, enthalpy and entropy of the folding. Results were validated for different protein lengths, sequences, and parameter values and were found to be consistent.
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