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  1. Article

    Open Access

    Unraveling the functional dark matter through global metagenomics

    Metagenomes encode an enormous diversity of proteins, reflecting a multiplicity of functions and activities1,2. Exploration of this vast sequence space has been limited to a comparative analysis against reference...

    Georgios A. Pavlopoulos, Fotis A. Baltoumas, Sirui Liu, Oguz Selvitopi… in Nature (2023)

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    Article

    Structural characterization and molecular dynamics simulations of the caprine and bovine solute carrier family 11 A1 (SLC11A1)

    Natural Resistance-Associated Macrophage Proteins are a family of transmembrane divalent metal ion transporters, with important implications in life of both bacteria and mammals. Among them, the Solute Carrier...

    Kostas A. Triantaphyllopoulos… in Journal of Computer-Aided Molecular Design (2019)

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    Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions

    A significant amount of experimental evidence suggests that G-protein coupled receptors (GPCRs) do not act exclusively as monomers but also form biologically relevant dimers and oligomers. However, the structu...

    Fotis A. Baltoumas… in Journal of Computer-Aided Molecular Design (2016)

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    Article

    A β-solenoid model of the Pmel17 repeat domain: insights to the formation of functional amyloid fibrils

    Pmel17 is a multidomain protein involved in biosynthesis of melanin. This process is facilitated by the formation of Pmel17 amyloid fibrils that serve as a scaffold, important for pigment deposition in melanos...

    Nikolaos N. Louros, Fotis A. Baltoumas… in Journal of Computer-Aided Molecular Design (2016)