Now showing items 121-123 of 123
Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases
(Wiley Periodicals, Inc., 2023-05-08)
In the biosynthesis of the tryptophan-linked dimeric diketopiperazines (DKPs), cytochromes P450 selectively couple DKP monomers to generate a variety of intricate and isomeric frameworks. To determine the molecular basis ...
Mechanism of B-H Redistribution during Reduction of Polyborazylene by Hydrazine
(SpringerWiley Periodicals, Inc., 2023-06-13)
Density functional theory has been used to elucidate the mechanistic underpinnings of the regeneration of ammonia-borane (H3B−NH3, AB) from polyborazylene (BxNxHx, PBz) in the presence of hydrazine (H2N−NH2, Hz). Herein, ...