FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2563821493> ?p ?o ?g. }

• W2563821493 endingPage "317" @default.
• W2563821493 startingPage "302" @default.
• W2563821493 abstract "The hallmark of Parkinson’s disease (PD) is the intracellular protein aggregation forming Lewy Bodies (LB) and Lewy neuritis which comprise mostly of a protein, alpha synuclein (α-syn). Molecular dynamics (MD) simulation methods can augment experimental techniques to understand misfolding and aggregation pathways with atomistic resolution. The quality of MD simulations for proteins and peptides depends greatly on the accuracy of empirical force fields. The aim of this work is to investigate the effects of different force fields on the structural character of β hairpin fragment of α-syn (residues 35–56) peptide in aqueous solution. Six independent MD simulations are done in explicit solvent using, AMBER03, AMBER99SB, GROMOS96 43A1, GROMOS96 53A6, OPLS-AA, and CHARMM27 force fields with CMAP corrections. The performance of each force field is assessed from several structural parameters such as root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (Rg), solvent accessible surface area (SASA), formation of β-turn, the stability of folded β-hairpin structure, and the favourable conformations obtained for different force fields. In this study, CMAP correction of CHARMM27 force field is found to overestimate the helical conformation, while GROMOS96 53A6 is found to most successfully capture the conformational dynamics of α-syn β-hairpin fragment as elicited from NMR." @default.
• W2563821493 created "2017-01-06" @default.
• W2563821493 creator A5049407501 @default.
• W2563821493 date "2017-01-23" @default.
• W2563821493 modified "2023-09-27" @default.
• W2563821493 title "Effects of different force fields on the structural character of α synuclein β-hairpin peptide (35–56) in aqueous environment" @default.
• W2563821493 cites W1527671059 @default.
• W2563821493 cites W1965831294 @default.
• W2563821493 cites W1966078827 @default.
• W2563821493 cites W1967733770 @default.
• W2563821493 cites W1969234902 @default.
• W2563821493 cites W1976499671 @default.
• W2563821493 cites W1978498560 @default.
• W2563821493 cites W1989535456 @default.
• W2563821493 cites W1998091903 @default.
• W2563821493 cites W2002559713 @default.
• W2563821493 cites W2017394797 @default.
• W2563821493 cites W2025277506 @default.
• W2563821493 cites W2026258231 @default.
• W2563821493 cites W2027408247 @default.
• W2563821493 cites W2028501277 @default.
• W2563821493 cites W2035687084 @default.
• W2563821493 cites W2040809566 @default.
• W2563821493 cites W2046014998 @default.
• W2563821493 cites W2046263328 @default.
• W2563821493 cites W2049475242 @default.
• W2563821493 cites W2051381895 @default.
• W2563821493 cites W2054881399 @default.
• W2563821493 cites W2067174909 @default.
• W2563821493 cites W2081693079 @default.
• W2563821493 cites W2082122470 @default.
• W2563821493 cites W2087596773 @default.
• W2563821493 cites W2095876464 @default.
• W2563821493 cites W2104414143 @default.
• W2563821493 cites W2104806389 @default.
• W2563821493 cites W2114934710 @default.
• W2563821493 cites W2135860334 @default.
• W2563821493 cites W2138744383 @default.
• W2563821493 cites W2159923313 @default.
• W2563821493 cites W2160544821 @default.
• W2563821493 cites W2161379168 @default.
• W2563821493 cites W2162319691 @default.
• W2563821493 cites W2192911366 @default.
• W2563821493 cites W2315962322 @default.
• W2563821493 cites W4229551249 @default.
• W2563821493 cites W4239259299 @default.
• W2563821493 cites W4240954493 @default.
• W2563821493 cites W4246447715 @default.
• W2563821493 cites W4255916494 @default.
• W2563821493 cites W4231020740 @default.
• W2563821493 doi "https://doi.org/10.1080/07391102.2016.1276478" @default.
• W2563821493 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28024449" @default.
• W2563821493 hasPublicationYear "2017" @default.
• W2563821493 type Work @default.
• W2563821493 sameAs 2563821493 @default.
• W2563821493 citedByCount "12" @default.
• W2563821493 countsByYear W25638214932017 @default.
• W2563821493 countsByYear W25638214932018 @default.
• W2563821493 countsByYear W25638214932021 @default.
• W2563821493 countsByYear W25638214932022 @default.
• W2563821493 countsByYear W25638214932023 @default.
• W2563821493 crossrefType "journal-article" @default.
• W2563821493 hasAuthorship W2563821493A5049407501 @default.
• W2563821493 hasConcept C10803110 @default.
• W2563821493 hasConcept C121332964 @default.
• W2563821493 hasConcept C12554922 @default.
• W2563821493 hasConcept C147597530 @default.
• W2563821493 hasConcept C168568712 @default.
• W2563821493 hasConcept C178790620 @default.
• W2563821493 hasConcept C185592680 @default.
• W2563821493 hasConcept C204328495 @default.
• W2563821493 hasConcept C521977710 @default.
• W2563821493 hasConcept C55493867 @default.
• W2563821493 hasConcept C59593255 @default.
• W2563821493 hasConcept C62520636 @default.
• W2563821493 hasConcept C71907059 @default.
• W2563821493 hasConcept C8010536 @default.
• W2563821493 hasConcept C86803240 @default.
• W2563821493 hasConceptScore W2563821493C10803110 @default.
• W2563821493 hasConceptScore W2563821493C121332964 @default.
• W2563821493 hasConceptScore W2563821493C12554922 @default.
• W2563821493 hasConceptScore W2563821493C147597530 @default.
• W2563821493 hasConceptScore W2563821493C168568712 @default.
• W2563821493 hasConceptScore W2563821493C178790620 @default.
• W2563821493 hasConceptScore W2563821493C185592680 @default.
• W2563821493 hasConceptScore W2563821493C204328495 @default.
• W2563821493 hasConceptScore W2563821493C521977710 @default.
• W2563821493 hasConceptScore W2563821493C55493867 @default.
• W2563821493 hasConceptScore W2563821493C59593255 @default.
• W2563821493 hasConceptScore W2563821493C62520636 @default.
• W2563821493 hasConceptScore W2563821493C71907059 @default.
• W2563821493 hasConceptScore W2563821493C8010536 @default.
• W2563821493 hasConceptScore W2563821493C86803240 @default.
• W2563821493 hasFunder F4320308552 @default.
• W2563821493 hasFunder F4320334771 @default.
• W2563821493 hasIssue "2" @default.
• W2563821493 hasLocation W25638214931 @default.
• W2563821493 hasLocation W25638214932 @default.

• next