Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase
Catechol O-methyltransferase (COMT) is a SAM- and Mg[superscript 2+]-dependent methyltransferase that regulates neurotransmitters through methylation. Simulations and experiments have identified divergent catecholamine substrate orientations in the COMT active site: molecular dynamics simulations h...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
Public Library of Science
2016
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| Online Access: | http://hdl.handle.net/1721.1/105361 https://orcid.org/0000-0001-5959-207X https://orcid.org/0000-0001-9342-0191 |