Gorge Motions of Acetylcholinesterase Revealed by Microsecond Molecular Dynamics Simulations
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/s41598-017-03088-y
Abstract: Acetylcholinesterase, with a deep, narrow active-site gorge, attracts enormous interest due to its particularly high catalytic efficiency and its inhibitors used for treatment of Alzheimer’s disease. To facilitate the massive pass-through of the substrate and… read more here.
Keywords: microsecond molecular; gorge motions; molecular dynamics; gorge ... See more keywords
Conserved Conformational Hierarchy across Functionally Divergent Glycosyltransferases of the GT-B Structural Superfamily as Determined from Microsecond Molecular Dynamics
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms22094619
Abstract: It has long been understood that some proteins undergo conformational transitions en route to the Michaelis Complex to allow chemistry. Examination of crystal structures of glycosyltransferase enzymes in the GT-B structural class reveals that the… read more here.
Keywords: microsecond molecular; open closed; molecular dynamics; structural superfamily ... See more keywords