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• W2023921624 endingPage "9015" @default.
• W2023921624 startingPage "9004" @default.
• W2023921624 abstract "Obtaining the correct balance of secondary structure propensities is a central priority in protein force-field development. Given that current force fields differ significantly in their alpha-helical propensities, a correction to match experimental results would be highly desirable. We have determined simple backbone energy corrections for two force fields to reproduce the fraction of helix measured in short peptides at 300 K. As validation, we show that the optimized force fields produce results in excellent agreement with nuclear magnetic resonance experiments for folded proteins and short peptides not used in the optimization. However, despite the agreement at ambient conditions, the dependence of the helix content on temperature is too weak, a problem shared with other force fields. A fit of the Lifson-Roig helix-coil theory shows that both the enthalpy and entropy of helix formation are too small: the helix extension parameter w agrees well with experiment, but its entropic and enthalpic components are both only about half the respective experimental estimates. Our structural and thermodynamic analyses point toward the physical origins of these shortcomings in current force fields, and suggest ways to address them in future force-field development." @default.
• W2023921624 created "2016-06-24" @default.
• W2023921624 creator A5059620610 @default.
• W2023921624 creator A5059945365 @default.
• W2023921624 date "2009-06-10" @default.
• W2023921624 modified "2023-10-10" @default.
• W2023921624 title "Optimized Molecular Dynamics Force Fields Applied to the Helix−Coil Transition of Polypeptides" @default.
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• W2023921624 cites W1596502325 @default.
• W2023921624 cites W1963797068 @default.
• W2023921624 cites W1969915413 @default.
• W2023921624 cites W1973060931 @default.
• W2023921624 cites W1976499671 @default.
• W2023921624 cites W1978498560 @default.
• W2023921624 cites W1980292953 @default.
• W2023921624 cites W1981021420 @default.
• W2023921624 cites W1984190805 @default.
• W2023921624 cites W1985070997 @default.
• W2023921624 cites W1985697934 @default.
• W2023921624 cites W1990719397 @default.
• W2023921624 cites W1994834955 @default.
• W2023921624 cites W1996138414 @default.
• W2023921624 cites W1997362265 @default.
• W2023921624 cites W1998907419 @default.
• W2023921624 cites W1999330255 @default.
• W2023921624 cites W2000468695 @default.
• W2023921624 cites W2001835847 @default.
• W2023921624 cites W2003625632 @default.
• W2023921624 cites W2007886752 @default.
• W2023921624 cites W2015805666 @default.
• W2023921624 cites W2017394797 @default.
• W2023921624 cites W2020383882 @default.
• W2023921624 cites W2024726841 @default.
• W2023921624 cites W2025717854 @default.
• W2023921624 cites W2025895105 @default.
• W2023921624 cites W2030833223 @default.
• W2023921624 cites W2031273789 @default.
• W2023921624 cites W2031989514 @default.
• W2023921624 cites W2034478733 @default.
• W2023921624 cites W2036131411 @default.
• W2023921624 cites W2041122953 @default.
• W2023921624 cites W2042423854 @default.
• W2023921624 cites W2044601459 @default.
• W2023921624 cites W2047081950 @default.
• W2023921624 cites W2047493638 @default.
• W2023921624 cites W2051809960 @default.
• W2023921624 cites W2053797131 @default.
• W2023921624 cites W2056770911 @default.
• W2023921624 cites W2056787525 @default.
• W2023921624 cites W2057553906 @default.
• W2023921624 cites W2069123478 @default.
• W2023921624 cites W2071457996 @default.
• W2023921624 cites W2072576317 @default.
• W2023921624 cites W2074986801 @default.
• W2023921624 cites W2077480295 @default.
• W2023921624 cites W2079199763 @default.
• W2023921624 cites W2081359387 @default.
• W2023921624 cites W2081693079 @default.
• W2023921624 cites W2083232514 @default.
• W2023921624 cites W2083939457 @default.
• W2023921624 cites W2099356919 @default.
• W2023921624 cites W2099407940 @default.
• W2023921624 cites W2102074396 @default.
• W2023921624 cites W2108085222 @default.
• W2023921624 cites W2109284125 @default.
• W2023921624 cites W2112736312 @default.
• W2023921624 cites W2113270377 @default.
• W2023921624 cites W2114277014 @default.
• W2023921624 cites W2119500797 @default.
• W2023921624 cites W2122199548 @default.
• W2023921624 cites W2123768693 @default.
• W2023921624 cites W2130361965 @default.
• W2023921624 cites W2131288855 @default.
• W2023921624 cites W2132349343 @default.
• W2023921624 cites W2134059200 @default.
• W2023921624 cites W2135674818 @default.
• W2023921624 cites W2137195231 @default.
• W2023921624 cites W2137714390 @default.
• W2023921624 cites W2144062946 @default.
• W2023921624 cites W2144288821 @default.
• W2023921624 cites W2147304506 @default.
• W2023921624 cites W2149472608 @default.
• W2023921624 cites W2151654128 @default.
• W2023921624 cites W2156012420 @default.
• W2023921624 cites W2156975940 @default.
• W2023921624 cites W2159010139 @default.
• W2023921624 cites W2949836140 @default.
• W2023921624 cites W343086395 @default.
• W2023921624 cites W4229683065 @default.
• W2023921624 cites W4247271411 @default.
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• W2023921624 doi "https://doi.org/10.1021/jp901540t" @default.
• W2023921624 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3115786" @default.
• W2023921624 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19514729" @default.
• W2023921624 hasPublicationYear "2009" @default.
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