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Solvation Free Energies of Alanine Peptides: The Effect of Flexibility
The electrostatic (ΔG(el)), van der Waals cavity-formation (ΔG(vdw)), and total (ΔG) solvation free energies for 10 alanine peptides ranging in length (n) from 1 to 10 monomers were calculated. The free energies were computed both with fixed, extended conformations of the peptides and again for some...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2013
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3913540/ https://ncbi.nlm.nih.gov/pubmed/24328358 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp409693p |
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