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Adaptive Correction from Virtually Complex Dynamic Libraries: The Role of Noncovalent Interactions in Structural Selection and Folding
Author(s) -
Lafuente Maria,
Atcher Joan,
Solà Jordi,
Alfonso Ignacio
Publication year - 2015
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201501415
Subject(s) - folding (dsp implementation) , selection (genetic algorithm) , non covalent interactions , computer science , biophysics , chemistry , nanotechnology , computational biology , biology , artificial intelligence , materials science , engineering , molecule , hydrogen bond , organic chemistry , electrical engineering
The 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.