Matches in SemOpenAlex for { <https://semopenalex.org/work/W2024852882> ?p ?o ?g. }
- W2024852882 abstract "All-atom empirical molecular mechanics protein force fields, which have been developed to represent the energetics of peptide folding behavior in aqueous solution, have not been parameterized for protein interactions with solid material surfaces. As a result, their applicability for representing the adsorption behavior of proteins with functionalized material surfaces should not be assumed. To address this issue, we conducted replica-exchange molecular dynamics simulations of the adsorption behavior of structured peptides to functionalized surfaces using three protein force fields that are widely used for the simulation of peptide adsorption behavior: CHARMM22, AMBER94, and OPLS-AA. Simulation results for peptide structure both in solution and when adsorbed to the surfaces were compared to experimental results for similar peptide-surface systems to provide a means of evaluating and comparing the performance of these three force fields for this type of application. Substantial differences in both solution and adsorbed peptide conformations were found amongst these three force fields, with the CHARMM22 force field found to most closely match experimental results." @default.
- W2024852882 created "2016-06-24" @default.
- W2024852882 creator A5019943617 @default.
- W2024852882 creator A5050638774 @default.
- W2024852882 creator A5054826233 @default.
- W2024852882 creator A5069354135 @default.
- W2024852882 creator A5073016609 @default.
- W2024852882 date "2012-03-01" @default.
- W2024852882 modified "2023-09-27" @default.
- W2024852882 title "Comparison Between Empirical Protein Force Fields for the Simulation of the Adsorption Behavior of Structured LK Peptides on Functionalized Surfaces" @default.
- W2024852882 cites W1965291892 @default.
- W2024852882 cites W1976993208 @default.
- W2024852882 cites W1978161967 @default.
- W2024852882 cites W1982889499 @default.
- W2024852882 cites W1984291816 @default.
- W2024852882 cites W1985307198 @default.
- W2024852882 cites W1986495726 @default.
- W2024852882 cites W1987327282 @default.
- W2024852882 cites W1992515052 @default.
- W2024852882 cites W1992540340 @default.
- W2024852882 cites W1993324117 @default.
- W2024852882 cites W1998883304 @default.
- W2024852882 cites W2005791514 @default.
- W2024852882 cites W2012519722 @default.
- W2024852882 cites W2018700232 @default.
- W2024852882 cites W2026348767 @default.
- W2024852882 cites W2027408247 @default.
- W2024852882 cites W2029313453 @default.
- W2024852882 cites W2029667189 @default.
- W2024852882 cites W2030760447 @default.
- W2024852882 cites W2040809566 @default.
- W2024852882 cites W2041976552 @default.
- W2024852882 cites W2042490093 @default.
- W2024852882 cites W2047194973 @default.
- W2024852882 cites W2050333027 @default.
- W2024852882 cites W2051381895 @default.
- W2024852882 cites W2052100687 @default.
- W2024852882 cites W2053960417 @default.
- W2024852882 cites W2057876883 @default.
- W2024852882 cites W2061793367 @default.
- W2024852882 cites W2067174909 @default.
- W2024852882 cites W2076182516 @default.
- W2024852882 cites W2080131977 @default.
- W2024852882 cites W2105573149 @default.
- W2024852882 cites W2106140689 @default.
- W2024852882 cites W2108313761 @default.
- W2024852882 cites W2122199548 @default.
- W2024852882 cites W2127522551 @default.
- W2024852882 cites W2132629607 @default.
- W2024852882 cites W2141920771 @default.
- W2024852882 cites W2155589696 @default.
- W2024852882 cites W2158657243 @default.
- W2024852882 cites W2162166182 @default.
- W2024852882 cites W2171365645 @default.
- W2024852882 cites W4233418655 @default.
- W2024852882 doi "https://doi.org/10.1007/s13758-012-0024-z" @default.
- W2024852882 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4243546" @default.
- W2024852882 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22589067" @default.
- W2024852882 hasPublicationYear "2012" @default.
- W2024852882 type Work @default.
- W2024852882 sameAs 2024852882 @default.
- W2024852882 citedByCount "47" @default.
- W2024852882 countsByYear W20248528822012 @default.
- W2024852882 countsByYear W20248528822013 @default.
- W2024852882 countsByYear W20248528822014 @default.
- W2024852882 countsByYear W20248528822015 @default.
- W2024852882 countsByYear W20248528822016 @default.
- W2024852882 countsByYear W20248528822017 @default.
- W2024852882 countsByYear W20248528822018 @default.
- W2024852882 countsByYear W20248528822019 @default.
- W2024852882 countsByYear W20248528822020 @default.
- W2024852882 countsByYear W20248528822021 @default.
- W2024852882 countsByYear W20248528822022 @default.
- W2024852882 countsByYear W20248528822023 @default.
- W2024852882 crossrefType "journal-article" @default.
- W2024852882 hasAuthorship W2024852882A5019943617 @default.
- W2024852882 hasAuthorship W2024852882A5050638774 @default.
- W2024852882 hasAuthorship W2024852882A5054826233 @default.
- W2024852882 hasAuthorship W2024852882A5069354135 @default.
- W2024852882 hasAuthorship W2024852882A5073016609 @default.
- W2024852882 hasBestOaLocation W20248528821 @default.
- W2024852882 hasConcept C10803110 @default.
- W2024852882 hasConcept C11413529 @default.
- W2024852882 hasConcept C119599485 @default.
- W2024852882 hasConcept C121332964 @default.
- W2024852882 hasConcept C127413603 @default.
- W2024852882 hasConcept C147597530 @default.
- W2024852882 hasConcept C147789679 @default.
- W2024852882 hasConcept C150394285 @default.
- W2024852882 hasConcept C159467904 @default.
- W2024852882 hasConcept C165464430 @default.
- W2024852882 hasConcept C171250308 @default.
- W2024852882 hasConcept C184651966 @default.
- W2024852882 hasConcept C185592680 @default.
- W2024852882 hasConcept C192562407 @default.
- W2024852882 hasConcept C2776545253 @default.
- W2024852882 hasConcept C2779281246 @default.
- W2024852882 hasConcept C41008148 @default.
- W2024852882 hasConcept C55493867 @default.
- W2024852882 hasConcept C59593255 @default.