FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4252926281> ?p ?o ?g. }

• W4252926281 endingPage "575" @default.
• W4252926281 startingPage "566" @default.
• W4252926281 abstract "The ab initio conformational energy minima of the model tripeptide N-formyl-L-alanyl-L-alanine amide (ALA-ALA) were determined by ab initio RHF/4-21G and RHF/6-31G* gradient geometry refinement. For the current investigation, 11 664 RHF/4-21G structures were optimized, representing grid points in the four-dimensional (phi 1 , psi 1 , phi 2 , psi 2 ) conformational space, which were constructed in 40° increments along the outer torsions phi 1 and psi 2 and in 30° increments along the inner torsions psi 1 and phi 2 of ALA-ALA. Two new energy minima, previously not reported, are described. The positions of the RHF/6-31G* energy minima in phi,psi-space can differ significantly from the corresponding RHF/4-21G locations, and both sets are not clustered in the centers but on the fringes of the most populated regions of phi, psi-space in protein crystal structures. Thus, the torsion angles of the ab initio energy minima are not those of the typical substructures of proteins: the most stable helices are not alpha R , and the torsion angles of the most stable bend forms are not those most frequently encountered in protein bends. Limitations of the dipeptide approximation are explored, illustrating how the conformational energies of an amino acid residue depend on the state of its neighbor.Key words: alanyl alanine amide, dipeptide approximation, model tripeptide, peptide models, structure of peptides." @default.
• W4252926281 created "2022-05-12" @default.
• W4252926281 creator A5015169371 @default.
• W4252926281 creator A5037406121 @default.
• W4252926281 creator A5083431043 @default.
• W4252926281 date "1998-05-01" @default.
• W4252926281 modified "2023-10-10" @default.
• W4252926281 title "Article" @default.
• W4252926281 cites W1013090239 @default.
• W4252926281 cites W1515407773 @default.
• W4252926281 cites W1517494381 @default.
• W4252926281 cites W1545391114 @default.
• W4252926281 cites W1600511639 @default.
• W4252926281 cites W1608363010 @default.
• W4252926281 cites W1662043888 @default.
• W4252926281 cites W1679038547 @default.
• W4252926281 cites W1881256783 @default.
• W4252926281 cites W1964849872 @default.
• W4252926281 cites W1965423776 @default.
• W4252926281 cites W1965473349 @default.
• W4252926281 cites W1968480586 @default.
• W4252926281 cites W1968509480 @default.
• W4252926281 cites W1971186736 @default.
• W4252926281 cites W1972858720 @default.
• W4252926281 cites W1975755742 @default.
• W4252926281 cites W1978261415 @default.
• W4252926281 cites W1981532742 @default.
• W4252926281 cites W1982158212 @default.
• W4252926281 cites W1986752865 @default.
• W4252926281 cites W1990641909 @default.
• W4252926281 cites W1992410503 @default.
• W4252926281 cites W1994876831 @default.
• W4252926281 cites W1996198941 @default.
• W4252926281 cites W1997069108 @default.
• W4252926281 cites W2000872531 @default.
• W4252926281 cites W2000910854 @default.
• W4252926281 cites W2001388659 @default.
• W4252926281 cites W2004098345 @default.
• W4252926281 cites W2004370807 @default.
• W4252926281 cites W2005566764 @default.
• W4252926281 cites W2005725474 @default.
• W4252926281 cites W2006679193 @default.
• W4252926281 cites W2008372192 @default.
• W4252926281 cites W2011361140 @default.
• W4252926281 cites W2011414783 @default.
• W4252926281 cites W2017236853 @default.
• W4252926281 cites W2022950330 @default.
• W4252926281 cites W2024219857 @default.
• W4252926281 cites W2025822492 @default.
• W4252926281 cites W2030168926 @default.
• W4252926281 cites W2034346825 @default.
• W4252926281 cites W2037383234 @default.
• W4252926281 cites W2038147123 @default.
• W4252926281 cites W2040408807 @default.
• W4252926281 cites W2046412723 @default.
• W4252926281 cites W2046496284 @default.
• W4252926281 cites W2046991281 @default.
• W4252926281 cites W2048837885 @default.
• W4252926281 cites W2049253407 @default.
• W4252926281 cites W2049902088 @default.
• W4252926281 cites W2052378293 @default.
• W4252926281 cites W2052718638 @default.
• W4252926281 cites W2055066077 @default.
• W4252926281 cites W2056755423 @default.
• W4252926281 cites W2059864841 @default.
• W4252926281 cites W2061671109 @default.
• W4252926281 cites W2062981802 @default.
• W4252926281 cites W2063222925 @default.
• W4252926281 cites W2063429481 @default.
• W4252926281 cites W2065993263 @default.
• W4252926281 cites W2068629260 @default.
• W4252926281 cites W2070105227 @default.
• W4252926281 cites W2071896996 @default.
• W4252926281 cites W2074275729 @default.
• W4252926281 cites W2076714281 @default.
• W4252926281 cites W2078307239 @default.
• W4252926281 cites W2078667512 @default.
• W4252926281 cites W2079591923 @default.
• W4252926281 cites W2083764647 @default.
• W4252926281 cites W2086449565 @default.
• W4252926281 cites W2087717508 @default.
• W4252926281 cites W2091114931 @default.
• W4252926281 cites W2092424514 @default.
• W4252926281 cites W2094642658 @default.
• W4252926281 cites W2109843715 @default.
• W4252926281 cites W2113475822 @default.
• W4252926281 cites W2135212862 @default.
• W4252926281 cites W2164683682 @default.
• W4252926281 cites W2316529451 @default.
• W4252926281 cites W2318778130 @default.
• W4252926281 cites W2346390670 @default.
• W4252926281 cites W2984148133 @default.
• W4252926281 cites W3004807563 @default.
• W4252926281 cites W4210779239 @default.
• W4252926281 cites W4237809511 @default.
• W4252926281 cites W4248000944 @default.
• W4252926281 cites W4253433561 @default.
• W4252926281 doi "https://doi.org/10.1139/v98-063" @default.

• next