APLIKASI TRICHOKOMPOS DAN PUPUK GRAND-K TERHADAP  PERTUMBUHAN DAN HASIL BAWANG MERAH (Allium ascalonicum L)  PADA LAHAN GAMBUT RAWAN TERENDAM

Sutriana, Selvia; Ulpah, Saripah; Nur, M.

doi:10.24014/ja.v12i1.9660

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“…First, the Jaccard indexes are converted into dissimilarity matrices by taking 1 J , followed by the computation of hierarchical clustering to identify clusters at the interfaces. To do so, the Ward.D2 method implemented in R was used . No generic method can be applied to choose the optimal number of clusters since the choice depends on the application.…”

Section: Methodsmentioning

confidence: 99%

Dynamics of Protein–RNA Interfaces Using All-Atom Molecular Dynamics Simulations

Sabei,

Hognon,

Martin

et al. 2024

J. Phys. Chem. B

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Facing the current challenges posed by human health diseases requires the understanding of cell machinery at a molecular level. The interplay between proteins and RNA is key for any physiological phenomenon, as well protein–RNA interactions. To understand these interactions, many experimental techniques have been developed, spanning a very wide range of spatial and temporal resolutions. In particular, the knowledge of tridimensional structures of protein–RNA complexes provides structural, mechanical, and dynamical pieces of information essential to understand their functions. To get insights into the dynamics of protein–RNA complexes, we carried out all-atom molecular dynamics simulations in explicit solvent on nine different protein–RNA complexes with different functions and interface size by taking into account the bound and unbound forms. First, we characterized structural changes upon binding and, for the RNA part, the change in the puckering. Second, we extensively analyzed the interfaces, their dynamics and structural properties, and the structural waters involved in the binding, as well as the contacts mediated by them. Based on our analysis, the interfaces rearranged during the simulation time showing alternative and stable residue–residue contacts with respect to the experimental structure.

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Section: Methodsmentioning

confidence: 99%