“…METHODS: Specifically, structure prediction algorithms can be used to "remodel" existing structures against the same template. …”
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“…CONCLUSIONS: Refinement of eukaryotic gene structures mediated by gene-structure-aware multiple protein sequence alignment is a useful strategy to dramatically improve the overall prediction quality of a set of homologous genes. …”
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Materias: “…Structural Communications…”
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“…Herein we report the construction and stabilization of a dimeric TatA, as well as the structure determination by solution NMR spectroscopy. …”
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“…[Image: see text] Accurate and affordable assessment of ligand–protein affinity for structure-based virtual screening (SB-VS) is a standing challenge. …”
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“…We first perform a comprehensive analysis of all protein kinase structures deposited in the Protein Data Bank. We then develop DFGmodel, a method that takes either a known structure of a kinase in the active conformation or a sequence of a kinase without a structure, to generate kinase models in the inactive conformation. …”
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“…In this paper we perform molecular dynamics simulations and PCA analysis on wild-type and mutant (T854A) structures to gain insight into the structural changes observed in the target protein upon mutation. …”
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“…Additionally, the chemical constituents compared with those of Astragalus membranaceus and the structure-activity relationship of the isolated compounds were both analyzed. …”
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“…The PRV genome comprises ten double-stranded RNA segments encoding at least eight structural and two non-structural proteins. Erythrocytes are the major target cells for PRV. …”
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“…The overall structure was highly similar to the previously reported MTMR2 structure. …”
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“…In this study, we compared the biosynthesis, structural diversity, in vitro and in planta activities of orfamides produced by rhizosphere-derived Pseudomonas protegens and related Pseudomonas species. …”
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“…The understanding of G-protein coupled receptors (GPCRs) is undergoing a revolution due to increased information about their signaling and the experimental determination of structures for more than 25 receptors. The availability of at least one receptor structure for each of the GPCR classes, well separated in sequence space, enables an integrated superfamily-wide analysis to identify signatures involving the role of conserved residues, conserved contacts, and downstream signaling in the context of receptor structures. …”
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“…Each path is found to further split into two branches under tensile strain–low buckled and high buckled structures, which respectively lead to a low and high buckled monolayer structure. …”
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“…Atomic resolution structures of cys-loop receptors, including one of a γ-aminobutyric acid type A receptor (GABA(A) receptor) subtype, allow amazing insights into the structural features and conformational changes that these pentameric ligand-gated ion channels (pLGICs) display. …”
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“…The P2X7 receptor (P2X7R) plays an important role in diverse conditions associated with tissue damage and inflammation, meaning that the human P2X7R (hP2X7R) is an attractive therapeutic target. The crystal structures of the zebrafish P2X4R in the closed and ATP-bound open states provide an unprecedented opportunity for structure-guided identification of new ligands. …”
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“…Commun. (2008), 11, 1–4]. The mol­ecular structures of the two polymorphs are compared.…”
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“…The crystal structure, electronic structure and optical properties of SmTaO(4) were identified through an experimental method and first principles calculation. …”
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“…Small molecule ligands that could stabilize G-quadruplex structure formed at the promoter region of human c-myc oncogene will regulate its expression in cancer cells. …”
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