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Fig. 5 | BMC Bioinformatics

Fig. 5

From: Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulations

Fig. 5

a-b Representation of the folding in the two peptides with the greatest error. Peptide 10 (a) (ALIDCLAPDRR) and peptide 5 (b) (GKNHDTGVSPVFA) show that there is an important folding in the peptide structure which can be associated with the error values reported due the self-interactions of the molecule. Both tertiary structures were obtained using the protein structure predictor I-TASSER [25]

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BMC Bioinformatics

ISSN: 1471-2105

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