FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2897831408> ?p ?o ?g. }

• W2897831408 endingPage "694" @default.
• W2897831408 startingPage "686" @default.
• W2897831408 abstract "The interaction between coniferyl alcohol (CA) and laccase (LAC) was investigated using molecular dynamics (MD) simulations and spectral experiments. The mode of interaction between CA and LAC was established by MD simulations. The micro-environmental changes, stability and rigidity of the LAC-CA system were assessed by relevant parameters. These parameters include root mean square deviation (RMSD), root mean square fluctuation (RMSF) and radius of gyration (Rg). The calculated binding free energy (ΔGbinding= −19.99 kcal·mol.−1), the van der waals (VDW) contribution (ΔGvdw=−23.99 kcal·mol−1) and the electrostatic energy (ΔGele=−23.09 kcal·mol−1) of LAC-CA system demonstrated that the interaction of LAC-CA was a spontaneous process and the main interaction forces were van der Waal's and electrostatic forces. The values of ΔGvdw and ΔGele were negative, which demonstrated that VDW interactions and electrostatic interactions were favorable for the binding of CA and LAC. The binding constants, thermodynamic parameters, molecular force types and binding distances confirmed the interaction between CA and LAC and further verified the rationality of the theoretical model by spectral experiments. The MD simulations and experimental approaches provide clues for the discovery of new mediators and useful references for the mechanism of microbial degradation of lignin and industrialization of lignocellulose." @default.
• W2897831408 created "2018-10-26" @default.
• W2897831408 creator A5003642180 @default.
• W2897831408 creator A5017300981 @default.
• W2897831408 creator A5042797134 @default.
• W2897831408 creator A5068933851 @default.
• W2897831408 creator A5070509723 @default.
• W2897831408 creator A5083581319 @default.
• W2897831408 date "2018-10-08" @default.
• W2897831408 modified "2023-10-17" @default.
• W2897831408 title "Atomic-scale investigation of the interaction between coniferyl alcohol and laccase for lignin degradation using molecular dynamics simulations and spectroscopy" @default.
• W2897831408 cites W1569671234 @default.
• W2897831408 cites W1912960682 @default.
• W2897831408 cites W1988502790 @default.
• W2897831408 cites W1994044721 @default.
• W2897831408 cites W2128401660 @default.
• W2897831408 cites W2207374812 @default.
• W2897831408 cites W2209411965 @default.
• W2897831408 cites W2232258559 @default.
• W2897831408 cites W2507402722 @default.
• W2897831408 cites W2514248936 @default.
• W2897831408 cites W2535689220 @default.
• W2897831408 cites W2537973788 @default.
• W2897831408 cites W2551946260 @default.
• W2897831408 cites W2562007067 @default.
• W2897831408 cites W2620979723 @default.
• W2897831408 cites W2725598874 @default.
• W2897831408 cites W2753241307 @default.
• W2897831408 doi "https://doi.org/10.1080/01932691.2018.1478305" @default.
• W2897831408 hasPublicationYear "2018" @default.
• W2897831408 type Work @default.
• W2897831408 sameAs 2897831408 @default.
• W2897831408 citedByCount "5" @default.
• W2897831408 countsByYear W28978314082022 @default.
• W2897831408 countsByYear W28978314082023 @default.
• W2897831408 crossrefType "journal-article" @default.
• W2897831408 hasAuthorship W2897831408A5003642180 @default.
• W2897831408 hasAuthorship W2897831408A5017300981 @default.
• W2897831408 hasAuthorship W2897831408A5042797134 @default.
• W2897831408 hasAuthorship W2897831408A5068933851 @default.
• W2897831408 hasAuthorship W2897831408A5070509723 @default.
• W2897831408 hasAuthorship W2897831408A5083581319 @default.
• W2897831408 hasConcept C121332964 @default.
• W2897831408 hasConcept C126061179 @default.
• W2897831408 hasConcept C147597530 @default.
• W2897831408 hasConcept C147789679 @default.
• W2897831408 hasConcept C159467904 @default.
• W2897831408 hasConcept C168568712 @default.
• W2897831408 hasConcept C178790620 @default.
• W2897831408 hasConcept C181199279 @default.
• W2897831408 hasConcept C184779094 @default.
• W2897831408 hasConcept C185592680 @default.
• W2897831408 hasConcept C22499117 @default.
• W2897831408 hasConcept C2781052789 @default.
• W2897831408 hasConcept C32909587 @default.
• W2897831408 hasConcept C521977710 @default.
• W2897831408 hasConcept C59593255 @default.
• W2897831408 hasConcept C62520636 @default.
• W2897831408 hasConcept C71907059 @default.
• W2897831408 hasConcept C76935637 @default.
• W2897831408 hasConcept C93282013 @default.
• W2897831408 hasConceptScore W2897831408C121332964 @default.
• W2897831408 hasConceptScore W2897831408C126061179 @default.
• W2897831408 hasConceptScore W2897831408C147597530 @default.
• W2897831408 hasConceptScore W2897831408C147789679 @default.
• W2897831408 hasConceptScore W2897831408C159467904 @default.
• W2897831408 hasConceptScore W2897831408C168568712 @default.
• W2897831408 hasConceptScore W2897831408C178790620 @default.
• W2897831408 hasConceptScore W2897831408C181199279 @default.
• W2897831408 hasConceptScore W2897831408C184779094 @default.
• W2897831408 hasConceptScore W2897831408C185592680 @default.
• W2897831408 hasConceptScore W2897831408C22499117 @default.
• W2897831408 hasConceptScore W2897831408C2781052789 @default.
• W2897831408 hasConceptScore W2897831408C32909587 @default.
• W2897831408 hasConceptScore W2897831408C521977710 @default.
• W2897831408 hasConceptScore W2897831408C59593255 @default.
• W2897831408 hasConceptScore W2897831408C62520636 @default.
• W2897831408 hasConceptScore W2897831408C71907059 @default.
• W2897831408 hasConceptScore W2897831408C76935637 @default.
• W2897831408 hasConceptScore W2897831408C93282013 @default.
• W2897831408 hasIssue "5" @default.
• W2897831408 hasLocation W28978314081 @default.
• W2897831408 hasOpenAccess W2897831408 @default.
• W2897831408 hasPrimaryLocation W28978314081 @default.
• W2897831408 hasRelatedWork W192134746 @default.
• W2897831408 hasRelatedWork W2010835595 @default.
• W2897831408 hasRelatedWork W2032490777 @default.
• W2897831408 hasRelatedWork W2069318382 @default.
• W2897831408 hasRelatedWork W2079321395 @default.
• W2897831408 hasRelatedWork W2081147693 @default.
• W2897831408 hasRelatedWork W2161972019 @default.
• W2897831408 hasRelatedWork W2330841462 @default.
• W2897831408 hasRelatedWork W2382594090 @default.
• W2897831408 hasRelatedWork W2417816310 @default.
• W2897831408 hasVolume "40" @default.
• W2897831408 isParatext "false" @default.
• W2897831408 isRetracted "false" @default.
• W2897831408 magId "2897831408" @default.

• next