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  1. Article

    Open Access

    Understanding 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...

    Chulwon Choi, Jungnam Bae, Seonghan Kim, Seho Lee, Hyunook Kang in Nature Communications (2023)

  2. Article

    Open Access

    Improved 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...

    Naozumi Hiranuma, Hahnbeom Park, Minkyung Baek, Ivan Anishchenko in Nature Communications (2021)

  3. No Access

    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...

    Julia Koehler Leman, Brian D. Weitzner, Steven M. Lewis in Nature Methods (2020)

  4. No Access

    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...

    Jiayi Dou, Anastassia A. Vorobieva, William Sheffler, Lindsey A. Doyle in Nature (2018)

  5. Article

    Open Access

    GalaxyTBM: 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...

    Junsu Ko, Hahnbeom Park, Chaok Seok in BMC Bioinformatics (2012)