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Anomeric effect, hyperconjugation and electrostatics: Lessons from complexity in a classic stereoelectronic phenomenon
Understanding the interplay of multiple components (steric, electrostatic, stereoelectronic,
dispersive, etc.) that define the overall energy, structure, and reactivity of organic molecules …
dispersive, etc.) that define the overall energy, structure, and reactivity of organic molecules …
[HTML][HTML] Fungal cellulases
Lignocellulosic biomass has enormous potential to contribute to worldwide energy,
chemical, and material demands in a renewable, sustainable manner. In the United States …
chemical, and material demands in a renewable, sustainable manner. In the United States …
Multifaceted computational modeling in glycoscience
Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …
The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases
Lytic polysaccharide monooxygenases (LPMOs) are copper-containing enzymes that
oxidatively break down recalcitrant polysaccharides such as cellulose and chitin. Since their …
oxidatively break down recalcitrant polysaccharides such as cellulose and chitin. Since their …
Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular …
A Ardèvol, C Rovira - Journal of the American Chemical Society, 2015 - ACS Publications
Carbohydrate-active enzymes such as glycoside hydrolases (GHs) and glycosyltransferases
(GTs) are of growing importance as drug targets. The development of efficient competitive …
(GTs) are of growing importance as drug targets. The development of efficient competitive …
Glycosidase-targeting small molecules for biological and therapeutic applications
Y Kim, H Li, J Choi, J Boo, H Jo, JY Hyun… - Chemical Society …, 2023 - pubs.rsc.org
Glycosidases are ubiquitous enzymes that catalyze the hydrolysis of glycosidic linkages in
oligosaccharides and glycoconjugates. These enzymes play a vital role in a wide variety of …
oligosaccharides and glycoconjugates. These enzymes play a vital role in a wide variety of …
Chemical kinetics and mechanisms of complex systems: A perspective on recent theoretical advances
This Perspective presents a personal overview of the current status of the theory of chemical
kinetics and mechanisms for complex processes. We attempt to assess the status of the field …
kinetics and mechanisms for complex processes. We attempt to assess the status of the field …
An overview of activity-based probes for glycosidases
Highlights•Glycosidases carry out many essential functions across all domains of
life.•Activity-based probes can interrogate complex biological samples for glycosidase …
life.•Activity-based probes can interrogate complex biological samples for glycosidase …
Glycosynthesis in a waterworld: new insight into the molecular basis of transglycosylation in retaining glycoside hydrolases
Carbohydrates are ubiquitous in Nature and play vital roles in many biological systems.
Therefore the synthesis of carbohydrate-based compounds is of considerable interest for …
Therefore the synthesis of carbohydrate-based compounds is of considerable interest for …
The mechanism of cellulose hydrolysis by a two-step, retaining cellobiohydrolase elucidated by structural and transition path sampling studies
Glycoside hydrolases (GHs) cleave glycosidic linkages in carbohydrates, typically via
inverting or retaining mechanisms, the latter of which proceeds via a two-step mechanism …
inverting or retaining mechanisms, the latter of which proceeds via a two-step mechanism …