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Although there are eight hydrogen bonds between the dimer interface, the complementarity among the monomer surfaces is not ideal.
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NBO analysis explored the hyper conjugative interaction and stability of title crystals, especially, reconfirmed the existence of H⋯O hydrogen bonds between the dimers.
The same acquisition of two hydrogen bonds between the two dimers is observed between Arg8′ and Asp29 in PRG48T/L89M-SQV PRG48T/L89M-SQVrotation of Arg8′.
There are 12 hydrogen bonds between the two intercalated dimers within the c-di-GMP tetramer, including contacts between the N3 atoms and exocyclic NH2 amides of an adjacent base.
Our computational design strategy relied on the molecular dynamics (MD -simulated diMD -simulated of E172–173 andimer idea that the dimer structure can be stabilized by introfucing disulfidE172 173between the two subunits of the dimer.
Two N-terminal disulfide bonds stabilize the dimer (Schaller et al. 1995; Hall et al. 2000).
The interface allosteric site of wild-type caspase 3 contains six conserved water molecules that form H-bonds across the dimer interface between Arg, Tyr, Arg164′, and Tyr197′ [ 8] (Supplementary Figure S3A at http://www.bioscirep.org/bsr/032/bsr0320401add.htm).htm
Unique to Prdx1, Cys can form disulfide bonds between adjacent dimers of the decameric toroid (21), although not apparently at the same time as the well-established disulfide bond within each dimer (between the peroxidatic and resolving cysteines); hence, these decamers are still SDS labile.
The microtubule-severing enzyme katanin uses ATP hydrolysis to disrupt noncovalent bonds between tubulin dimers within the microtubule lattice.
In a crystal state, the NCN-pincer ligand bearing the 6-ethynyl-1-octyluracil moiety was found to form a hydrogen-bonded dimer through intermolecular hydrogen bonds between the uracil moieties, which was connected through π π interaction between the uracil and benzene moieties of the NCN-pincer ligand.
As seen in Table 1, the detailed analysis of the MD trajectory predicted that extra L196C/I301C mutations on E172-173 may introduce the desirable cross-subunit disulfide bonds between the two subunits of the E172-173 dimer.
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