Modelling the effect of osmolytes on peptide mechanical unfolding.
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| Title: | Modelling the effect of osmolytes on peptide mechanical unfolding. |
|---|---|
| Authors: | Pieraccini, Stefano1,2,3 stefano.pieraccini@unimi.it, Conti, Simone1, Chaurasia, Shilpi1, Sironi, Maurizio1,2,3 maurizio.sironi@unimi.it |
| Source: | Chemical Physics Letters. Jul2013, Vol. 578, p138-143. 6p. |
| Subjects: | Peptides, Denaturation of proteins, Molecular dynamics, Osmolality, Protein structure, Free energy (Thermodynamics) |
| Abstract: | Highlights: [•] The mechanical unfolding of a beta-hairpin is studied in presence of osmolytes. [•] The study is performed via steered molecular dynamics and umbrella sampling. [•] Analysing free energy profiles, osmoprotectants and denaturants effects are outlined. [•] Structural insight about unfolding mechanism are disclosed. [ABSTRACT FROM AUTHOR] |
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| Database: | Engineering Source |
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