FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2099771464> ?p ?o ?g. }

• W2099771464 abstract "We report a general approach for the simulation of the electron paramagnetic resonance (EPR) spectra of spin labels attached to peptides and proteins directly from replica-exchange molecular dynamics (REMD) trajectories. Conventional MD trajectories are generally inadequate for the prediction of EPR line shapes since the label can become trapped in one or more of a set of rotameric states, thus preventing both conformational sampling and accurate estimates of the exchange rates between different rotamers. The advantage of using REMD is its ability to provide both efficient conformational sampling and kinetic information for spin-label dynamics. Our approach is illustrated with spin-labeled peptide. This approach to REMD-EPR simulation paves the way for the wider application of MD modeling to the simulation and interpretation of EPR spectra of spin-labeled molecules." @default.
• W2099771464 created "2016-06-24" @default.
• W2099771464 creator A5073147068 @default.
• W2099771464 creator A5085626500 @default.
• W2099771464 date "2013-10-03" @default.
• W2099771464 modified "2023-09-23" @default.
• W2099771464 title "Simulation of electron paramagnetic resonance spectra of spin-labeled molecules from replica-exchange molecular dynamics" @default.
• W2099771464 cites W1858237937 @default.
• W2099771464 cites W1966078827 @default.
• W2099771464 cites W1974464394 @default.
• W2099771464 cites W1979623351 @default.
• W2099771464 cites W1992375450 @default.
• W2099771464 cites W1993267444 @default.
• W2099771464 cites W2008812223 @default.
• W2099771464 cites W2010035602 @default.
• W2099771464 cites W2011542536 @default.
• W2099771464 cites W2012387523 @default.
• W2099771464 cites W2018224555 @default.
• W2099771464 cites W2025899185 @default.
• W2099771464 cites W2027139219 @default.
• W2099771464 cites W2027828673 @default.
• W2099771464 cites W2032363535 @default.
• W2099771464 cites W2034902663 @default.
• W2099771464 cites W2040809566 @default.
• W2099771464 cites W2053189962 @default.
• W2099771464 cites W2061844749 @default.
• W2099771464 cites W2069092525 @default.
• W2099771464 cites W2072219333 @default.
• W2099771464 cites W2075399859 @default.
• W2099771464 cites W2091046681 @default.
• W2099771464 cites W2093641307 @default.
• W2099771464 cites W2095921114 @default.
• W2099771464 cites W2107278311 @default.
• W2099771464 cites W2115886057 @default.
• W2099771464 cites W2125947653 @default.
• W2099771464 cites W2127235885 @default.
• W2099771464 cites W2128677332 @default.
• W2099771464 cites W2142814343 @default.
• W2099771464 cites W2148691151 @default.
• W2099771464 cites W2171405893 @default.
• W2099771464 cites W2313094819 @default.
• W2099771464 doi "https://doi.org/10.1103/physreve.88.042701" @default.
• W2099771464 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24229207" @default.
• W2099771464 hasPublicationYear "2013" @default.
• W2099771464 type Work @default.
• W2099771464 sameAs 2099771464 @default.
• W2099771464 citedByCount "4" @default.
• W2099771464 countsByYear W20997714642015 @default.
• W2099771464 countsByYear W20997714642017 @default.
• W2099771464 countsByYear W20997714642019 @default.
• W2099771464 countsByYear W20997714642020 @default.
• W2099771464 crossrefType "journal-article" @default.
• W2099771464 hasAuthorship W2099771464A5073147068 @default.
• W2099771464 hasAuthorship W2099771464A5085626500 @default.
• W2099771464 hasBestOaLocation W20997714641 @default.
• W2099771464 hasConcept C121332964 @default.
• W2099771464 hasConcept C121864883 @default.
• W2099771464 hasConcept C126838900 @default.
• W2099771464 hasConcept C139210041 @default.
• W2099771464 hasConcept C142362112 @default.
• W2099771464 hasConcept C143409427 @default.
• W2099771464 hasConcept C147597530 @default.
• W2099771464 hasConcept C153349607 @default.
• W2099771464 hasConcept C159467904 @default.
• W2099771464 hasConcept C184779094 @default.
• W2099771464 hasConcept C185592680 @default.
• W2099771464 hasConcept C18705241 @default.
• W2099771464 hasConcept C187961010 @default.
• W2099771464 hasConcept C192562407 @default.
• W2099771464 hasConcept C193812863 @default.
• W2099771464 hasConcept C2775937380 @default.
• W2099771464 hasConcept C32909587 @default.
• W2099771464 hasConcept C41999313 @default.
• W2099771464 hasConcept C42704618 @default.
• W2099771464 hasConcept C46141821 @default.
• W2099771464 hasConcept C4839761 @default.
• W2099771464 hasConcept C59593255 @default.
• W2099771464 hasConcept C62520636 @default.
• W2099771464 hasConcept C71924100 @default.
• W2099771464 hasConcept C83042744 @default.
• W2099771464 hasConcept C97355855 @default.
• W2099771464 hasConceptScore W2099771464C121332964 @default.
• W2099771464 hasConceptScore W2099771464C121864883 @default.
• W2099771464 hasConceptScore W2099771464C126838900 @default.
• W2099771464 hasConceptScore W2099771464C139210041 @default.
• W2099771464 hasConceptScore W2099771464C142362112 @default.
• W2099771464 hasConceptScore W2099771464C143409427 @default.
• W2099771464 hasConceptScore W2099771464C147597530 @default.
• W2099771464 hasConceptScore W2099771464C153349607 @default.
• W2099771464 hasConceptScore W2099771464C159467904 @default.
• W2099771464 hasConceptScore W2099771464C184779094 @default.
• W2099771464 hasConceptScore W2099771464C185592680 @default.
• W2099771464 hasConceptScore W2099771464C18705241 @default.
• W2099771464 hasConceptScore W2099771464C187961010 @default.
• W2099771464 hasConceptScore W2099771464C192562407 @default.
• W2099771464 hasConceptScore W2099771464C193812863 @default.
• W2099771464 hasConceptScore W2099771464C2775937380 @default.
• W2099771464 hasConceptScore W2099771464C32909587 @default.
• W2099771464 hasConceptScore W2099771464C41999313 @default.
• W2099771464 hasConceptScore W2099771464C42704618 @default.

• next