[HTML][HTML] Fungal cellulases

CM Payne, BC Knott, HB Mayes, H Hansson… - Chemical …, 2015 - ACS Publications
Lignocellulosic biomass has enormous potential to contribute to worldwide energy,
chemical, and material demands in a renewable, sustainable manner. In the United States …

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 …

Density functional tight binding: application to organic and biological molecules

M Gaus, Q Cui, M Elstner - Wiley Interdisciplinary Reviews …, 2014 - Wiley Online Library
In this work, we review recent extensions of the density functional tight binding (DFTB)
methodology and its application to organic and biological molecules. DFTB denotes a class …

The mechanism of cellulose hydrolysis by a two-step, retaining cellobiohydrolase elucidated by structural and transition path sampling studies

BC Knott, M Haddad Momeni, MF Crowley… - Journal of the …, 2014 - ACS Publications
Glycoside hydrolases (GHs) cleave glycosidic linkages in carbohydrates, typically via
inverting or retaining mechanisms, the latter of which proceeds via a two-step mechanism …

How sugars pucker: electronic structure calculations map the kinetic landscape of five biologically paramount monosaccharides and their implications for enzymatic …

HB Mayes, LJ Broadbelt… - Journal of the American …, 2014 - ACS Publications
Glycoside hydrolases (GHs) distort carbohydrate ring geometry along particular “catalytic
itineraries” during the cleavage of glycosidic bonds, illustrating the relationship between …

Highly selective β-mannosylations and β-rhamnosylations catalyzed by bis-thiourea

Q Li, SM Levi, EN Jacobsen - Journal of the American Chemical …, 2020 - ACS Publications
We report highly β-selective bis-thioureas-catalyzed 1, 2-cis-O-pyranosylations employing
easily accessible acetonide-protected donors. A wide variety of alcohol nucleophiles …

Carbohydrate–protein interactions that drive processive polysaccharide translocation in enzymes revealed from a computational study of cellobiohydrolase …

BC Knott, MF Crowley, ME Himmel… - Journal of the …, 2014 - ACS Publications
Translocation of carbohydrate polymers through protein tunnels and clefts is a ubiquitous
biochemical phenomenon in proteins such as polysaccharide synthases, glycoside …

Evaluation of the potential of pelletized enzyme-treated Ginkgo leaf residues for use as a solid fuel

Y Guo, Y Yu, Z Wan, S Sokhansanj, YA El-Kassaby… - Renewable Energy, 2022 - Elsevier
Converting biowaste to solid fuel pellets is an efficient and environmental-friendly way for
forestry residues utilization. Here, we investigated the effect of enzyme treatment on the …

The hydrolysis mechanism of a GH45 cellulase and its potential relation to lytic transglycosylase and expansin function

VS Bharadwaj, BC Knott, J Ståhlberg… - Journal of Biological …, 2020 - ASBMB
Family 45 glycoside hydrolases (GH45) are endoglucanases that are integral to cellulolytic
secretomes, and their ability to break down cellulose has been successfully exploited in …

Cellulase biocatalysis: key influencing factors and mode of action

SBA Hamid, MM Islam, R Das - Cellulose, 2015 - Springer
Commercial interests have been escalating worldwide on cellulase enzymes, since it has
enormous potentiality to process most abundant and eco-friendly celluloses and convert …