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Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies

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American Association for the Advancement of Science (AAAS)2019

The work presented in this thesis focused on the synthesis and characterization of new metalloligands based on iron(II) clathrochelate complexes. Clathrochelates can be functionalized peripherally with donor groups capable of coordinating metal ions. The s ...

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Multiscale integrative modeling stands at the intersection between experimental and computational techniques to predict the atomistic structures of important macromolecules. In the integrative modeling process, the experimental information is often integra ...

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Francesco Stellacci, Sergio Allegri

Metal-organic composites are of great interest for a wide range of applications. The control of their structure remains a challenge, one of the problems being a complex interplay of covalent and supramolecular interactions. This paper describes the self-as ...

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