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Title

Adaptive Correction from Virtually Complex Dynamic Libraries: The Role of Noncovalent Interactions in Structural Selection and Folding

AuthorsLafuente, Maria CSIC; Atcher, Joan; Solà Oller, Jordi CSIC ORCID ; Alfonso, Ignacio CSIC ORCID
KeywordsConformation analysis
molecular evolution
noncovalent interactions
peptidomimetics
Self-assembly
Issue Date8-Oct-2015
PublisherJohn Wiley & Sons
CitationChemistry - a European Journal 21(47): 17002-17009 (2015)
AbstractThe hierarchical self-assembling of complex molecular systems is dictated by the chemical and structural information stored in their components. This information can be expressed through an adaptive process that determines the structurally fittest assembly under given environmental conditions. We have set up complex disulfide-based dynamic covalent libraries of chemically and topologically diverse pseudopeptidic compounds. We show how the reaction evolves from very complex mixtures at short reaction times to the almost exclusive formation of a major compound, through the establishment of intramolecular noncovalent interactions. Our experiments demonstrate that the systems evolve through error-check and error-correction processes. The nature of these interactions, the importance of the folding and the effects of the environment are also discussed.
Publisher version (URL)http://dx.doi.org/10.1002/chem.201501415
URIhttp://hdl.handle.net/10261/128333
DOI10.1002/chem.201501415
ISSN1521-3765
Appears in Collections:(IQAC) Artículos




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