FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2330362920> ?p ?o ?g. }

• W2330362920 endingPage "4690" @default.
• W2330362920 startingPage "4681" @default.
• W2330362920 abstract "An improved parameter set for explicit-solvent simulations of carbohydrates (referred to as GROMOS 53A6GLYC) is presented, allowing proper description of the most stable conformation of all 16 possible aldohexopyranose-based monosaccharides. This set includes refinement of torsional potential parameters associated with the determination of hexopyranose rings conformation by fitting to their corresponding quantum-mechanical profiles. Other parameters, as the rules for third and excluded neighbors, are taken directly from the GROMOS 53A6 force field. Comparisons of the herein presented parameter set to our previous version (GROMOS 45A4), the GLYCAM06 force field, and available NMR data are presented in terms of ring puckering free energies, conformational distribution of the hydroxymethyl group, and glycosidic linkage geometries for 16 selected monosaccharides and eight disaccharides. The proposed parameter modifications have shown a significant improvement for the above-mentioned quantities over the two tested force fields, while retaining full compatibility with the GROMOS 53A6 and 54A7 parameter sets for other classes of biomolecules." @default.
• W2330362920 created "2016-06-24" @default.
• W2330362920 creator A5000264971 @default.
• W2330362920 creator A5032190365 @default.
• W2330362920 creator A5078393885 @default.
• W2330362920 creator A5086599258 @default.
• W2330362920 date "2012-09-18" @default.
• W2330362920 modified "2023-10-14" @default.
• W2330362920 title "GROMOS 53A6_GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates" @default.
• W2330362920 cites W185029269 @default.
• W2330362920 cites W1877090369 @default.
• W2330362920 cites W1964587503 @default.
• W2330362920 cites W1965761289 @default.
• W2330362920 cites W1966078827 @default.
• W2330362920 cites W1971569518 @default.
• W2330362920 cites W1976499671 @default.
• W2330362920 cites W1978498560 @default.
• W2330362920 cites W1981338975 @default.
• W2330362920 cites W1982414593 @default.
• W2330362920 cites W1986986500 @default.
• W2330362920 cites W1991794210 @default.
• W2330362920 cites W1995816895 @default.
• W2330362920 cites W1996021339 @default.
• W2330362920 cites W1998785920 @default.
• W2330362920 cites W2007528105 @default.
• W2330362920 cites W2012907468 @default.
• W2330362920 cites W2013107867 @default.
• W2330362920 cites W2013739113 @default.
• W2330362920 cites W2014225045 @default.
• W2330362920 cites W2014981151 @default.
• W2330362920 cites W2019287938 @default.
• W2330362920 cites W2022487013 @default.
• W2330362920 cites W2027154929 @default.
• W2330362920 cites W2028819452 @default.
• W2330362920 cites W2033906450 @default.
• W2330362920 cites W2035421990 @default.
• W2330362920 cites W2039241244 @default.
• W2330362920 cites W2039435828 @default.
• W2330362920 cites W2041006117 @default.
• W2330362920 cites W2041638382 @default.
• W2330362920 cites W2043235908 @default.
• W2330362920 cites W2049475242 @default.
• W2330362920 cites W2057709012 @default.
• W2330362920 cites W2063300447 @default.
• W2330362920 cites W2069262457 @default.
• W2330362920 cites W2072284391 @default.
• W2330362920 cites W2072298005 @default.
• W2330362920 cites W2073808757 @default.
• W2330362920 cites W2076381384 @default.
• W2330362920 cites W2076558486 @default.
• W2330362920 cites W2077538928 @default.
• W2330362920 cites W2081693079 @default.
• W2330362920 cites W2083022679 @default.
• W2330362920 cites W2085313657 @default.
• W2330362920 cites W2092749292 @default.
• W2330362920 cites W2094424390 @default.
• W2330362920 cites W2098943363 @default.
• W2330362920 cites W2119921534 @default.
• W2330362920 cites W2125938217 @default.
• W2330362920 cites W2127522551 @default.
• W2330362920 cites W2128572087 @default.
• W2330362920 cites W2129232972 @default.
• W2330362920 cites W2138492774 @default.
• W2330362920 cites W2146165616 @default.
• W2330362920 cites W2149760361 @default.
• W2330362920 cites W2152734832 @default.
• W2330362920 cites W2157553215 @default.
• W2330362920 cites W2161087912 @default.
• W2330362920 cites W2328751986 @default.
• W2330362920 cites W2335110000 @default.
• W2330362920 cites W2338266679 @default.
• W2330362920 cites W2951428058 @default.
• W2330362920 cites W4255584963 @default.
• W2330362920 cites W4301293604 @default.
• W2330362920 doi "https://doi.org/10.1021/ct300479h" @default.
• W2330362920 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26605624" @default.
• W2330362920 hasPublicationYear "2012" @default.
• W2330362920 type Work @default.
• W2330362920 sameAs 2330362920 @default.
• W2330362920 citedByCount "119" @default.
• W2330362920 countsByYear W23303629202013 @default.
• W2330362920 countsByYear W23303629202014 @default.
• W2330362920 countsByYear W23303629202015 @default.
• W2330362920 countsByYear W23303629202016 @default.
• W2330362920 countsByYear W23303629202017 @default.
• W2330362920 countsByYear W23303629202018 @default.
• W2330362920 countsByYear W23303629202019 @default.
• W2330362920 countsByYear W23303629202020 @default.
• W2330362920 countsByYear W23303629202021 @default.
• W2330362920 countsByYear W23303629202022 @default.
• W2330362920 countsByYear W23303629202023 @default.
• W2330362920 crossrefType "journal-article" @default.
• W2330362920 hasAuthorship W2330362920A5000264971 @default.
• W2330362920 hasAuthorship W2330362920A5032190365 @default.
• W2330362920 hasAuthorship W2330362920A5078393885 @default.
• W2330362920 hasAuthorship W2330362920A5086599258 @default.
• W2330362920 hasConcept C10803110 @default.
• W2330362920 hasConcept C118859902 @default.

• next