8,296 research outputs found
Molecular dynamics simulations reveal disruptive self-assembly in dynamic peptide libraries
There is a significant interest in the use of unmodified self-assembling peptides as building blocks for functional, supramolecular biomaterials. Recently, dynamic peptide libraries (DPLs) have been proposed to select self-assembling materials from dynamically exchanging mixture of dipeptide inputs in the presence of a nonspecific protease enzyme, where peptide sequences are selected and amplified based on their self-assembling tendencies. It was shown that the results of DPL of mixed sequences (e.g. starting from a mixture of dileucine, L2 and diphenylalanine, F2) did not give the same outcome as the separate L2 and F2 libraries (which give rise to formation of F6 and L6), implying that interaction between these sequences could disrupt the self-assembly. In this study, coarse grained molecular dynamic (CG-MD) simulations are used to understand the DPL results for F2, L2 and mixed libraries. CG-MD simulations demonstrate that interactions between precursors can cause the low formation yield of hexapeptides in mixtures of dipeptides and show that this ability to disrupt is influenced by the concentration of the different species in the DPL. The disrupting self-assembly effect between the species in DPL is an important effect to take into account in dynamic combinatorial chemistry as it affects the possible discovery of new materials. The work shows that combined computational and experimental screening can be used complementary and in combination provide a powerful means to discover new supramolecular peptide nanostructures
Preliminary study of sulfur-containing compounds produced by saccharomyces and non-saccharomyces yeast strains in different fermentation media
Pseudomonas koreensis A9 genome insights in heterotrophic sulfide oxidation
info:eu-repo/semantics/publishedVersio
Aspectos biológicos de Ceraeochrysa caligata (Banks) (Neuroptera: Chrysopidae) alimentada com ovos frescos de Spodoptera frugiperda (Smith) (Lepidoptera: Noctuidae).
Teste de fungicidas em viveiros para controle do "mal das folhas" da seringueira.
bitstream/item/59887/1/PA-15840001.pd
Comparação dos níveis de ácido cianídrico (HCN) entre etnovariedades de mandiocas bravas e mansas.
Disponível também on-line. Publicado também no Anais do XII Congresso Brasileiro da Mandioca, Paranavaí, 2007
A general procedure to evaluate many-body spin operator amplitudes from periodic calculations: application to cuprates
International audienc
Estudo da viabilidade prática e econômica do adensamento do plantio, associado com a erradicação sistemática de plantas de maracujazeiro com sintomas de mosaico, no controle do vírus do endurecimento dos frutos no estado do Pará.
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