Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemical Education"
DOI: 10.1021/acs.jchemed.9b00181
Abstract: The reemergence of virtual reality (VR) in the past few years has led to affordable, high-quality commodity hardware that can offer new ways to teach, communicate, and engage with complex concepts.... read more here.
Keywords: reality; enzyme catalysis; using interactive; virtual reality ... See more keywords
Elucidating Enzymatic Catalysis Using Fast Quantum Chemical Descriptors
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00860
Abstract: In general, computational simulations of enzymatic catalysis processes are thermodynamic and structural surveys to complement experimental studies, requiring high level computational methods to match accurate energy values. In the present work, we propose the usage… read more here.
Keywords: catalysis; catalysis using; chemical; enzymatic catalysis ... See more keywords
Biologically inspired oxidation catalysis using metallopeptides.
Sign Up to like & getrecommendations! Published in 2018 at "Dalton transactions"
DOI: 10.1039/c7dt03657d
Abstract: The stereoselective oxidation of hydrocarbons is one of the most challenging reactions for synthetic chemists. However, this transformation is one of the most common reactions in nature. Metalloenzymes that catalyze this transformation are taken as… read more here.
Keywords: oxidation; oxidation catalysis; metallopeptides biologically; inspired oxidation ... See more keywords
Confinement Effects in Catalysis Using Well-Defined Materials and Cages
Sign Up to like & getrecommendations! Published in 2018 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2018.00623
Abstract: This review focuses on the effects that confinement of molecular and heterogeneous catalysts with well-defined structure has on the selectivity and activity of these systems. A general introduction about catalysis and how the working principles… read more here.
Keywords: effects catalysis; heterogeneous catalysts; well defined; catalysis ... See more keywords