"molecular dynamics"

Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase
The isonitrile moiety is found in marine sponges and some microbes, where it plays a role in processes such as virulence and metal …
PDF Cite DOI
Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase
Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase
Catechol O-methyltransferase (COMT) is a SAM- and Mg2+-dependent methyltransferase that regulates neurotransmitters through …
PDF Cite DOI
Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase