Browsing by Subject "Glycoside hydrolases"
Now showing items 1-2 of 2
-
Electrostatic potential as a reactivity scoring function in computer-assisted enzyme engineering
(The FEBS Journal 2025, 292 (16), 4211-4231, 2025-08)The high catalytic efficiency of enzymes is attained, in part, by their capacity to stabilize electrostatically the transition state of the chemical reaction. High-throughput protocols for measuring ... -
Substrate distortion in the Michaelis complex of Bacillus 1,3–1,4-β-glucanase: insight from first principles molecular dynamics simulations
(Journal of Biological Chemistry. Vol.281, n.3 (2006), p.1432–1441, 2006-01)The structure and dynamics of the enzyme-substrate complex of Bacillus 1,3–1,4-β-glucanase, one of the most active glycoside hydrolases, is investigated by means of Car-Parrinello molecular dynamics ...