Discrete Molecular Aggregates Based on ZnII and SbIII/V Ions Displaying Efficient Antibacterial and Antioxidant Properties.
Sign Up to like & getrecommendations! Published in 2023 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.3c00247
Abstract: The reactions of [Zn3Cl2(3,5-Me2PzH)4(t-BuPO3)2] with organostibonic acid in varying reaction conditions have been investigated. Single-crystal X-ray diffraction studies reveal the formation of [Zn2(p-ClC6H4Sb)2(O)2(OCH3)2(t-BuPO3)3(py)2] (1), [Zn2(p-ClC6H4SbV)4(SbIII)2(O)8(t-BuPO3H)4(t-BuPO3)2(py)2Cl2] (2), and [Zn2(RSb)4(O)4(OCH3)4(t-BuPO3)4(py)2], where R = p-ClC6H4 (3) and R… read more here.
Keywords: discrete molecular; molecular aggregates; sbiii; based znii ... See more keywords
Discrete Molecular Dynamics Approach to the Study of Disordered and Aggregating Proteins.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.6b01153
Abstract: We present a refinement of the Coarse Grained PACSAB force field for Discrete Molecular Dynamics (DMD) simulations of proteins in aqueous conditions. As the original version, the refined method provides good representation of the structure… read more here.
Keywords: disordered aggregating; molecular dynamics; dynamics approach; study disordered ... See more keywords