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Article
Open AccessUnderstanding the molecular mechanisms of odorant binding and activation of the human OR52 family
Structural and mechanistic studies on human odorant receptors (ORs), key in olfactory signaling, are challenging because of their low surface expression in heterologous cells. The recent structure of OR51E2 bo...
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Article
Open AccessImproved protein structure refinement guided by deep learning based accuracy estimation
We develop a deep learning framework (DeepAccNet) that estimates per-residue accuracy and residue-residue distance signed error in protein models and uses these predictions to guide Rosetta protein structure r...
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Article
Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used in laboratories worldwide. During two decades of development by a community of laboratories at more than 60 institutions...
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Article
De novo design of a fluorescence-activating β-barrel
The regular arrangements of β-strands around a central axis in β-barrels and of α-helices in coiled coils contrast with the irregular tertiary structures of most globular proteins, and have fascinated structur...
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Article
Open AccessGalaxyTBM: template-based modeling by building a reliable core and refining unreliable local regions
Protein structures can be reliably predicted by template-based modeling (TBM) when experimental structures of homologous proteins are available. However, it is challenging to obtain structures more accurate th...