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作者：Lee, Young Hee
作者单位：Institute for Basic Science - Korea (IBS); Sungkyunkwan University (SKKU)
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作者：Lyu, Jiankun; Kapolka, Nicholas; Gumpper, Ryan; Alon, Assaf; Wang, Liang; Jain, Manish K.; Barros-Alvarez, Ximena; Sakamoto, Kensuke; Kim, Yoojoong; DiBerto, Jeffrey; Kim, Kuglae; Glenn, Isabella S.; Tummino, Tia A.; Huang, Sijie; Irwin, John J.; Tarkhanova, Olga O.; Moroz, Yurii; Skiniotis, Georgios; Kruse, Andrew C.; Shoichet, Brian K.; Roth, Bryan L.
作者单位：University of California System; University of California San Francisco; Rockefeller University; University of North Carolina; University of North Carolina Chapel Hill; University of North Carolina School of Medicine; Harvard University; Harvard Medical School; Stanford University; University of North Carolina; University of North Carolina Chapel Hill; University of North Carolina School of Medicine; National Institutes of Health (NIH) - USA; NIH National Institute of Mental Health (NIMH); Ministry of Education & Science of Ukraine; Taras Shevchenko National University of Kyiv; Enamine Ltd; Stanford University; University of North Carolina; University of North Carolina Chapel Hill; University of North Carolina School of Medicine
摘要：AlphaFold2 (AF2) models have had wide impact but mixed success in retrospective ligand recognition. We prospectively docked large libraries against unrefined AF2 models of the sigma(2) and serotonin 2A (5-HT2A) receptors, testing hundreds of new molecules and comparing results with those obtained from docking against the experimental structures. Hit rates were high and similar for the experimental and AF2 structures, as were affinities. Success in docking against the AF2 models was achieved de...
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作者：Hussein, Rana; Graca, Andre; Forsman, Jack; Aydin, A. Orkun; Hall, Michael; Gaetcke, Julia; Chernev, Petko; Wendler, Petra; Dobbek, Holger; Messinger, Johannes; Zouni, Athina; Schroder, Wolfgang P.
作者单位：Humboldt University of Berlin; Umea University; Uppsala University; University of Potsdam; Umea University
摘要：Photosystem II starts the photosynthetic electron transport chain that converts solar energy into chemical energy and thus sustains life on Earth. It catalyzes two chemical reactions: water oxidation to molecular oxygen and plastoquinone reduction. Coupling of electron and proton transfer is crucial for efficiency; however, the molecular basis of these processes remains speculative owing to uncertain water binding sites and the lack of experimentally determined hydrogen positions. We thus coll...
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作者：Kovarik, Stepan; Schlitz, Richard; Vishwakarma, Aishwarya; Ruckert, Dominic; Gambardella, Pietro; Stepanow, Sebastian
作者单位：Swiss Federal Institutes of Technology Domain; ETH Zurich; Swiss Federal Institutes of Technology Domain; Swiss Federal Laboratories for Materials Science & Technology (EMPA)
摘要：Control over quantum systems is typically achieved by time-dependent electric or magnetic fields. Alternatively, electronic spins can be controlled by spin-polarized currents. Here, we demonstrate coherent driving of a single spin by a radiofrequency spin-polarized current injected from the tip of a scanning tunneling microscope into an organic molecule. With the excitation of electron paramagnetic resonance, we established dynamic control of single spins by spin torque using a local electric ...
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作者：Whiteley, Andrew E.; Ma, Danhui; Wang, Lihua; Yu, Seok-Yeong; Yin, Claire; Price, Trevor T.; Simon, Brennan G.; Xu, Katie R.; Marsh, Kathleen A.; Brockman, Maegan L.; Prioleau, Tatiana M.; Zhou, Katherine I.; Cui, Xiuyu; Fecci, Peter E.; Jeck, William R.; McCall, Chad M.; Neff, Jadee L.; Sipkins, Dorothy A.
作者单位：Duke University; Duke University; Duke University; Stanford University; University System of Ohio; Case Western Reserve University; Wake Forest University; Emory University
摘要：The molecular mechanisms that regulate breast cancer cell (BCC) metastasis and proliferation within the leptomeninges (LM) are poorly understood, which limits the development of effective therapies. In this work, we show that BCCs in mice can invade the LM by abluminal migration along blood vessels that connect vertebral or calvarial bone marrow and meninges, bypassing the blood-brain barrier. This process is dependent on BCC engagement with vascular basement membrane laminin through expressio...
