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781.
Mateusz Sikora Sren von Bülow Florian E. C. Blanc Michael Gecht Roberto Covino Gerhard Hummer 《PLoS computational biology》2021,17(4)
The primary immunological target of COVID-19 vaccines is the SARS-CoV-2 spike (S) protein. S is exposed on the viral surface and mediates viral entry into the host cell. To identify possible antibody binding sites, we performed multi-microsecond molecular dynamics simulations of a 4.1 million atom system containing a patch of viral membrane with four full-length, fully glycosylated and palmitoylated S proteins. By mapping steric accessibility, structural rigidity, sequence conservation, and generic antibody binding signatures, we recover known epitopes on S and reveal promising epitope candidates for structure-based vaccine design. We find that the extensive and inherently flexible glycan coat shields a surface area larger than expected from static structures, highlighting the importance of structural dynamics. The protective glycan shield and the high flexibility of its hinges give the stalk overall low epitope scores. Our computational epitope-mapping procedure is general and should thus prove useful for other viral envelope proteins whose structures have been characterized. 相似文献
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The authors show that the process of the inversion aragonite-calcite is unfinished and fossilized in the cretaceous Scleratinians. This phenomenon is very likely connected with a limited arrival of fresh water in the sediment. 相似文献
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Acanthodactylus is a widespread lacertid genus including about thirthy species whose systematics remains much debated.The present study is aimed at improving the taxonomic status of the Tunisian species whose geographical distribution and ecological requirements have been studied elsewhere. Allozymic variation at 22 loci was scored in 14 populations for a total of 249 individuals. High genetic variability is confirmed in all samples; it is higher in species displaying a wide bioclimatic habitat range. No reduction of genetic variability was observed in two insular populations.Any interspecific hybrid could be detected from our genetic data, even in sympatric areas arguing in favor of specific status of four taxons in Northern, Central and Southern Tunisia.Phylogenetic relationships are discussed on the basis of UPGMA and Fitch-Margoliash procedures applied to the genetic distances matrix and centered data analysis of allozyme frequencies. 相似文献
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Bouillass Ghada Blanc Isabelle Perez-Lopez Paula 《The International Journal of Life Cycle Assessment》2021,26(12):2408-2435
The International Journal of Life Cycle Assessment - Investigating potential social and socio-economic impacts should play a key role for the development of sustainable mobility alternatives.... 相似文献
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Screening of yeasts producing 2-phenylethylalcohol 总被引:3,自引:0,他引:3
Twenty-one yeasts were cultivated for producing natural 2-phenylethylalcohol from phenylalanine, a precursor used as a contributory factor increasing the production of this rose-like aroma. Kluyveromyces marxianus appeared to be the sole yeast producing 1 g 2-phenylethylalcohol/l after 48 h. In phenylalanine-fed cultures (2.4 g/l) carried out for this strain, 1.85 g 2-phenylethylalcohol/l was produced after 192 h incubation at 30°C and 125 rpm. 相似文献