FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3100807572> ?p ?o ?g. }

• W3100807572 abstract "The catalytic conversion of adenosine triphosphate (ATP) and adenosine monophosphate (AMP) to adenosine diphosphate (ADP) by adenylate kinase (ADK) involves large amplitude, ligand induced domain motions, involving the opening and the closing of ATP binding domain (LID) and AMP binding domain (NMP) domains, during the repeated catalytic cycle. We discover and analyze an interesting dynamical coupling between the motion of the two domains during the opening, using large scale atomistic molecular dynamics trajectory analysis, covariance analysis, and multidimensional free energy calculations with explicit water. Initially, the LID domain must open by a certain amount before the NMP domain can begin to open. Dynamical correlation map shows interesting cross-peak between LID and NMP domain which suggests the presence of correlated motion between them. This is also reflected in our calculated two-dimensional free energy surface contour diagram which has an interesting elliptic shape, revealing a strong correlation between the opening of the LID domain and that of the NMP domain. Our free energy surface of the LID domain motion is rugged due to interaction with water and the signature of ruggedness is evident in the observed root mean square deviation variation and its fluctuation time correlation functions. We develop a correlated dynamical disorder-type theoretical model to explain the observed dynamic coupling between the motion of the two domains in ADK. Our model correctly reproduces several features of the cross-correlation observed in simulations." @default.
• W3100807572 created "2020-11-23" @default.
• W3100807572 creator A5000289328 @default.
• W3100807572 creator A5054067404 @default.
• W3100807572 creator A5071250321 @default.
• W3100807572 creator A5083996598 @default.
• W3100807572 date "2011-01-18" @default.
• W3100807572 modified "2023-10-16" @default.
• W3100807572 title "Dynamic coupling between the LID and NMP domain motions in the catalytic conversion of ATP and AMP to ADP by adenylate kinase" @default.
• W3100807572 cites W1970454429 @default.
• W3100807572 cites W1976051941 @default.
• W3100807572 cites W1976296435 @default.
• W3100807572 cites W1977300123 @default.
• W3100807572 cites W1989161865 @default.
• W3100807572 cites W1994481437 @default.
• W3100807572 cites W1995726782 @default.
• W3100807572 cites W1997676547 @default.
• W3100807572 cites W2008821562 @default.
• W3100807572 cites W2014425795 @default.
• W3100807572 cites W2028968631 @default.
• W3100807572 cites W2031822741 @default.
• W3100807572 cites W2032791258 @default.
• W3100807572 cites W2042147087 @default.
• W3100807572 cites W2044626483 @default.
• W3100807572 cites W2047682506 @default.
• W3100807572 cites W2049475242 @default.
• W3100807572 cites W2055497972 @default.
• W3100807572 cites W2055939796 @default.
• W3100807572 cites W2056872780 @default.
• W3100807572 cites W2057405737 @default.
• W3100807572 cites W2066596922 @default.
• W3100807572 cites W2072270340 @default.
• W3100807572 cites W2097294533 @default.
• W3100807572 cites W2113517340 @default.
• W3100807572 cites W2123182960 @default.
• W3100807572 cites W2127362915 @default.
• W3100807572 cites W2149744037 @default.
• W3100807572 cites W2160451368 @default.
• W3100807572 cites W2016324833 @default.
• W3100807572 doi "https://doi.org/10.1063/1.3516588" @default.
• W3100807572 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21261390" @default.
• W3100807572 hasPublicationYear "2011" @default.
• W3100807572 type Work @default.
• W3100807572 sameAs 3100807572 @default.
• W3100807572 citedByCount "39" @default.
• W3100807572 countsByYear W31008075722012 @default.
• W3100807572 countsByYear W31008075722013 @default.
• W3100807572 countsByYear W31008075722014 @default.
• W3100807572 countsByYear W31008075722015 @default.
• W3100807572 countsByYear W31008075722016 @default.
• W3100807572 countsByYear W31008075722017 @default.
• W3100807572 countsByYear W31008075722018 @default.
• W3100807572 countsByYear W31008075722019 @default.
• W3100807572 countsByYear W31008075722021 @default.
• W3100807572 countsByYear W31008075722022 @default.
• W3100807572 countsByYear W31008075722023 @default.
• W3100807572 crossrefType "journal-article" @default.
• W3100807572 hasAuthorship W3100807572A5000289328 @default.
• W3100807572 hasAuthorship W3100807572A5054067404 @default.
• W3100807572 hasAuthorship W3100807572A5071250321 @default.
• W3100807572 hasAuthorship W3100807572A5083996598 @default.
• W3100807572 hasBestOaLocation W31008075722 @default.
• W3100807572 hasConcept C121332964 @default.
• W3100807572 hasConcept C12554922 @default.
• W3100807572 hasConcept C131584629 @default.
• W3100807572 hasConcept C134306372 @default.
• W3100807572 hasConcept C180205008 @default.
• W3100807572 hasConcept C180526460 @default.
• W3100807572 hasConcept C181199279 @default.
• W3100807572 hasConcept C185592680 @default.
• W3100807572 hasConcept C191897082 @default.
• W3100807572 hasConcept C192562407 @default.
• W3100807572 hasConcept C33923547 @default.
• W3100807572 hasConcept C36503486 @default.
• W3100807572 hasConcept C55493867 @default.
• W3100807572 hasConcept C62520636 @default.
• W3100807572 hasConcept C86803240 @default.
• W3100807572 hasConceptScore W3100807572C121332964 @default.
• W3100807572 hasConceptScore W3100807572C12554922 @default.
• W3100807572 hasConceptScore W3100807572C131584629 @default.
• W3100807572 hasConceptScore W3100807572C134306372 @default.
• W3100807572 hasConceptScore W3100807572C180205008 @default.
• W3100807572 hasConceptScore W3100807572C180526460 @default.
• W3100807572 hasConceptScore W3100807572C181199279 @default.
• W3100807572 hasConceptScore W3100807572C185592680 @default.
• W3100807572 hasConceptScore W3100807572C191897082 @default.
• W3100807572 hasConceptScore W3100807572C192562407 @default.
• W3100807572 hasConceptScore W3100807572C33923547 @default.
• W3100807572 hasConceptScore W3100807572C36503486 @default.
• W3100807572 hasConceptScore W3100807572C55493867 @default.
• W3100807572 hasConceptScore W3100807572C62520636 @default.
• W3100807572 hasConceptScore W3100807572C86803240 @default.
• W3100807572 hasIssue "3" @default.
• W3100807572 hasLocation W31008075721 @default.
• W3100807572 hasLocation W31008075722 @default.
• W3100807572 hasLocation W31008075723 @default.
• W3100807572 hasOpenAccess W3100807572 @default.
• W3100807572 hasPrimaryLocation W31008075721 @default.
• W3100807572 hasRelatedWork W1514665570 @default.
• W3100807572 hasRelatedWork W1575077847 @default.

• next