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pro vyhledávání: '"Dylan Serillon"'
Autor:
Amy Edo-Osagie, Dylan Serillon, Federica Ruani, Xavier Barril, Christophe Gourlaouen, Nicola Armaroli, Barbara Ventura, Henri-Pierre Jacquot de Rouville, Valérie Heitz
A multi-responsive receptor consisting of two (acridinium-Zn(II) porphyrin) conjugates has been designed. The binding constant between this receptor and a ditopic guest has been modulated (i) upon addition of nucleophiles converting acridinium moieti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f74dc114be2f6dc7798ca9e0800e3465
https://zenodo.org/record/8159332
https://zenodo.org/record/8159332
Testing automatic methods to predict free binding energy of host–guest complexes in SAMPL7 challenge
Publikováno v:
Journal of Computer-Aided Molecular Design
The design of new host–guest complexes represents a fundamental challenge in supramolecular chemistry. At the same time, it opens new opportunities in material sciences or biotechnological applications. A computational tool capable of automati- cal