Matches in SemOpenAlex for { <https://semopenalex.org/work/W3004603661> ?p ?o ?g. }
Showing items 1 to 63 of
63
with 100 items per page.
- W3004603661 endingPage "298a" @default.
- W3004603661 startingPage "298a" @default.
- W3004603661 abstract "This study focuses on the reductive half reaction catalyzed by morphinone reductase, a member of the ene-reductase enzyme family. The reductive half reaction involves a hydride transfer from the C4 atom of a β-nicotinamide adenine dinucleotide (NADH) molecule to the N5 atom on a flavin mononucleotide (FMN) molecule. Previous experimental and computational work has revealed the involvement of protein dynamics during the catalytic process of this half reaction. This study directly investigates the importance of protein dynamics during the catalytic process. We prepared the morphinone reductase model from its crystal structure for molecular dynamic simulations. Part of the NADH and the FMN molecule involved in the deductive half reaction are described using PM3 semi-empirical potential. The transition path sampling method is used to collect unbiased reactive trajectory of the catalytic process. Transition states of the reaction are then acquired using committor analysis method. From the transition states, reaction coordinates of the catalytic process were determined using committor distribution analysis methods. Amino acids involved in the reaction coordinate shed light on the potential involvement of protein dynamics during the catalytic process of the reductive half reaction." @default.
- W3004603661 created "2020-02-14" @default.
- W3004603661 creator A5008171524 @default.
- W3004603661 date "2020-02-01" @default.
- W3004603661 modified "2023-09-30" @default.
- W3004603661 title "Mechanistic Studies of the Catalytic Process of Morphinone Reductase" @default.
- W3004603661 doi "https://doi.org/10.1016/j.bpj.2019.11.1690" @default.
- W3004603661 hasPublicationYear "2020" @default.
- W3004603661 type Work @default.
- W3004603661 sameAs 3004603661 @default.
- W3004603661 citedByCount "0" @default.
- W3004603661 crossrefType "journal-article" @default.
- W3004603661 hasAuthorship W3004603661A5008171524 @default.
- W3004603661 hasBestOaLocation W30046036611 @default.
- W3004603661 hasConcept C134651460 @default.
- W3004603661 hasConcept C147597530 @default.
- W3004603661 hasConcept C161790260 @default.
- W3004603661 hasConcept C178790620 @default.
- W3004603661 hasConcept C181199279 @default.
- W3004603661 hasConcept C18553476 @default.
- W3004603661 hasConcept C185592680 @default.
- W3004603661 hasConcept C2777427158 @default.
- W3004603661 hasConcept C32909587 @default.
- W3004603661 hasConcept C33093398 @default.
- W3004603661 hasConcept C55493867 @default.
- W3004603661 hasConcept C59593255 @default.
- W3004603661 hasConcept C69118441 @default.
- W3004603661 hasConcept C89031862 @default.
- W3004603661 hasConceptScore W3004603661C134651460 @default.
- W3004603661 hasConceptScore W3004603661C147597530 @default.
- W3004603661 hasConceptScore W3004603661C161790260 @default.
- W3004603661 hasConceptScore W3004603661C178790620 @default.
- W3004603661 hasConceptScore W3004603661C181199279 @default.
- W3004603661 hasConceptScore W3004603661C18553476 @default.
- W3004603661 hasConceptScore W3004603661C185592680 @default.
- W3004603661 hasConceptScore W3004603661C2777427158 @default.
- W3004603661 hasConceptScore W3004603661C32909587 @default.
- W3004603661 hasConceptScore W3004603661C33093398 @default.
- W3004603661 hasConceptScore W3004603661C55493867 @default.
- W3004603661 hasConceptScore W3004603661C59593255 @default.
- W3004603661 hasConceptScore W3004603661C69118441 @default.
- W3004603661 hasConceptScore W3004603661C89031862 @default.
- W3004603661 hasIssue "3" @default.
- W3004603661 hasLocation W30046036611 @default.
- W3004603661 hasOpenAccess W3004603661 @default.
- W3004603661 hasPrimaryLocation W30046036611 @default.
- W3004603661 hasRelatedWork W1552471784 @default.
- W3004603661 hasRelatedWork W1605921437 @default.
- W3004603661 hasRelatedWork W1974125859 @default.
- W3004603661 hasRelatedWork W2005850735 @default.
- W3004603661 hasRelatedWork W2033962416 @default.
- W3004603661 hasRelatedWork W2086437060 @default.
- W3004603661 hasRelatedWork W2134389265 @default.
- W3004603661 hasRelatedWork W2416107833 @default.
- W3004603661 hasRelatedWork W2955548587 @default.
- W3004603661 hasRelatedWork W4242910986 @default.
- W3004603661 hasVolume "118" @default.
- W3004603661 isParatext "false" @default.
- W3004603661 isRetracted "false" @default.
- W3004603661 magId "3004603661" @default.
- W3004603661 workType "article" @default.