FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3100282842> ?p ?o ?g. }

• W3100282842 endingPage "3491" @default.
• W3100282842 startingPage "3481" @default.
• W3100282842 abstract "DFT calculations were used to obtain parameters compatible with the CHARMM36 force field for iron-sulfur clusters (Fe-S) of the type [Fe4S4]2+ that are coordinated to dissimilatory adenosine-5'-phosphosulfate reductase (APSrAB). Classical molecular dynamics (MD) simulations were performed on two APSrAB systems to validate the parameters and verify the stability of the studied systems. The time analysis of the parameters inserted into the force field was in reasonable agreement with the experimental X-ray diffraction data. The analysis of the time evolution of the studied systems indicated that these systems and, in particular, the clusters in their respective cavities had a good stability and were in agreement with what was observed in previous works. The parameters obtained provide the basis for the study of APSrAB as well as other systems that contain [Fe4S4]2+ through the CHARMM36 force field." @default.
• W3100282842 created "2020-11-23" @default.
• W3100282842 creator A5012534920 @default.
• W3100282842 creator A5033934352 @default.
• W3100282842 creator A5053152629 @default.
• W3100282842 creator A5059316660 @default.
• W3100282842 creator A5067395751 @default.
• W3100282842 date "2020-11-13" @default.
• W3100282842 modified "2023-10-11" @default.
• W3100282842 title "Development of parameters compatible with the CHARMM36 force field for [Fe₄S₄]²⁺ clusters and molecular dynamics simulations of adenosine-5’-phosphosulfate reductase in GROMACS 2019" @default.
• W3100282842 cites W1031578623 @default.
• W3100282842 cites W1106171373 @default.
• W3100282842 cites W1497349833 @default.
• W3100282842 cites W1498573368 @default.
• W3100282842 cites W1538041644 @default.
• W3100282842 cites W1624860839 @default.
• W3100282842 cites W1966078827 @default.
• W3100282842 cites W1967131563 @default.
• W3100282842 cites W1978159078 @default.
• W3100282842 cites W1978958540 @default.
• W3100282842 cites W1981021420 @default.
• W3100282842 cites W1995816895 @default.
• W3100282842 cites W2002244427 @default.
• W3100282842 cites W2003329164 @default.
• W3100282842 cites W2008336035 @default.
• W3100282842 cites W2011554181 @default.
• W3100282842 cites W2021268536 @default.
• W3100282842 cites W2029125353 @default.
• W3100282842 cites W2029667189 @default.
• W3100282842 cites W2032051648 @default.
• W3100282842 cites W2032535713 @default.
• W3100282842 cites W2032719166 @default.
• W3100282842 cites W2035687084 @default.
• W3100282842 cites W2039035988 @default.
• W3100282842 cites W2041337154 @default.
• W3100282842 cites W2045527160 @default.
• W3100282842 cites W2051576946 @default.
• W3100282842 cites W2052412394 @default.
• W3100282842 cites W2053099809 @default.
• W3100282842 cites W2055160313 @default.
• W3100282842 cites W2057477511 @default.
• W3100282842 cites W2060079863 @default.
• W3100282842 cites W2062128496 @default.
• W3100282842 cites W2064604013 @default.
• W3100282842 cites W2067174909 @default.
• W3100282842 cites W2081693079 @default.
• W3100282842 cites W2082159207 @default.
• W3100282842 cites W2087439773 @default.
• W3100282842 cites W2103382224 @default.
• W3100282842 cites W2109154308 @default.
• W3100282842 cites W2117353905 @default.
• W3100282842 cites W2123768693 @default.
• W3100282842 cites W2125416160 @default.
• W3100282842 cites W2128572087 @default.
• W3100282842 cites W2130479394 @default.
• W3100282842 cites W2144288821 @default.
• W3100282842 cites W2158689871 @default.
• W3100282842 cites W2160544821 @default.
• W3100282842 cites W2161959858 @default.
• W3100282842 cites W2164746782 @default.
• W3100282842 cites W2171268876 @default.
• W3100282842 cites W2232395788 @default.
• W3100282842 cites W2399517286 @default.
• W3100282842 cites W2567289819 @default.
• W3100282842 cites W2744654394 @default.
• W3100282842 cites W2766551491 @default.
• W3100282842 cites W2771156075 @default.
• W3100282842 cites W2782761237 @default.
• W3100282842 cites W2789511815 @default.
• W3100282842 cites W2885940197 @default.
• W3100282842 cites W2889976365 @default.
• W3100282842 cites W2892113269 @default.
• W3100282842 cites W3022052030 @default.
• W3100282842 cites W4239452800 @default.
• W3100282842 doi "https://doi.org/10.1080/07391102.2020.1847687" @default.
• W3100282842 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33183173" @default.
• W3100282842 hasPublicationYear "2020" @default.
• W3100282842 type Work @default.
• W3100282842 sameAs 3100282842 @default.
• W3100282842 citedByCount "20" @default.
• W3100282842 countsByYear W31002828422021 @default.
• W3100282842 countsByYear W31002828422022 @default.
• W3100282842 countsByYear W31002828422023 @default.
• W3100282842 crossrefType "journal-article" @default.
• W3100282842 hasAuthorship W3100282842A5012534920 @default.
• W3100282842 hasAuthorship W3100282842A5033934352 @default.
• W3100282842 hasAuthorship W3100282842A5053152629 @default.
• W3100282842 hasAuthorship W3100282842A5059316660 @default.
• W3100282842 hasAuthorship W3100282842A5067395751 @default.
• W3100282842 hasConcept C10803110 @default.
• W3100282842 hasConcept C112972136 @default.
• W3100282842 hasConcept C119857082 @default.
• W3100282842 hasConcept C121332964 @default.
• W3100282842 hasConcept C147597530 @default.
• W3100282842 hasConcept C185592680 @default.
• W3100282842 hasConcept C202444582 @default.
• W3100282842 hasConcept C33923547 @default.
• W3100282842 hasConcept C41008148 @default.

• next