Ontology highlight
ABSTRACT:
SUBMITTER: Pina MLN
PROVIDER: S-EPMC10488009 | biostudies-literature | 2023 Aug
REPOSITORIES: biostudies-literature
Piña María de Las Nieves MLN Bauzá Antonio A
International journal of molecular sciences 20230822 17
In this work, intra- and intermolecular halogen and chalcogen bonds (HlgBs and ChBs, respectively) present in the solid state of nucleic acids (NAs) have been studied at the RI-MP2/def2-TZVP level of theory. To achieve this, a Protein Data Bank (PDB) survey was carried out, revealing a series of structures in which Br/I or S/Se/Te atoms belonging to nucleobases or pentose rings were involved in noncovalent interactions (NCIs) with electron-rich species. The energetics and directionality of these ...[more]