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Akademický článek
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Akademický článek
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Autor:
Vuong VQ; Department of Chemistry, Boston University, Boston, Massachusetts 02215, United States.; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States., Aradi B; Bremen Center for Computational Materials Science, Universität Bremen, Bremen 28359, Germany., Niklasson AMN; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Cui Q; Department of Chemistry, Boston University, Boston, Massachusetts 02215, United States.; Department of Physics, Boston University, Boston, Massachusetts 02215, United States.; Department of Biomedical Engineering, Boston University, Boston, Massachusetts 02215, United States., Irle S; Computational Sciences & Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Nov 14; Vol. 19 (21), pp. 7592-7605. Date of Electronic Publication: 2023 Oct 27.
Autor:
Rahman MM; School of Environmental and Life Sciences, University of Newcastle, Ourimbah, NSW 2258, Australia., Wills RBH; School of Environmental and Life Sciences, University of Newcastle, Ourimbah, NSW 2258, Australia., Bowyer MC; School of Environmental and Life Sciences, University of Newcastle, Ourimbah, NSW 2258, Australia., Vuong VQ; School of Environmental and Life Sciences, University of Newcastle, Ourimbah, NSW 2258, Australia., Golding JB; School of Environmental and Life Sciences, University of Newcastle, Ourimbah, NSW 2258, Australia.; NSW Department of Primary Industries, Ourimbah, NSW 2258, Australia., Kirkman T; School of Environmental and Life Sciences, University of Newcastle, Ourimbah, NSW 2258, Australia., Pristijono P; School of Environmental and Life Sciences, University of Newcastle, Ourimbah, NSW 2258, Australia.
Publikováno v:
Plants (Basel, Switzerland) [Plants (Basel)] 2023 Oct 31; Vol. 12 (21). Date of Electronic Publication: 2023 Oct 31.
Autor:
Vuong VQ; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States., Lee KH; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States., Savara AA; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Fung V; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Irle S; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States.; Computational Sciences & Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Sep 26; Vol. 19 (18), pp. 6471-6483. Date of Electronic Publication: 2023 Aug 30.
Autor:
Vuong VQ; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, USA., Cevallos C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica., Hourahine B; SUPA, Department of Physics, The John Anderson Building, 107 Rottenrow East, Glasgow G4 0NG, United Kingdom., Aradi B; Bremen Center for Computational Materials Science, Universität Bremen, Bremen, Germany., Jakowski J; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Irle S; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA., Camacho C; School of Chemistry, University of Costa Rica, San José 11501-2060, Costa Rica.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Feb 28; Vol. 158 (8), pp. 084802.
Autor:
Hameedi MA; SLAC National Accelerator Laboratory, Stanford Synchrotron Radiation Lightsource, Structural Molecular Biology, Menlo Park, CA, 94025, USA.; SLAC National Accelerator Laboratory, Stanford Synchrotron Radiation Lightsource, Biosciences, Menlo Park, CA, 94025, USA.; Department of Structural Biology, Stanford University, Stanford, CA, 94305, USA.; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA., T Prates E; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Garvin MR; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Mathews II; SLAC National Accelerator Laboratory, Stanford Synchrotron Radiation Lightsource, Structural Molecular Biology, Menlo Park, CA, 94025, USA., Amos BK; Department of Horticulture, University of Kentucky, Lexington, KY, USA., Demerdash O; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Bechthold M; Department of Structural Biology, Stanford University, Stanford, CA, 94305, USA., Iyer M; Chapman University School of Pharmacy, Irvine, CA, 92618, USA., Rahighi S; Chapman University School of Pharmacy, Irvine, CA, 92618, USA., Kneller DW; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Kovalevsky A; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Irle S; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA., Vuong VQ; The Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee Knoxville, Knoxville, TN, USA., Mitchell JC; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Labbe A; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA., Galanie S; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA.; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA.; Department of Process Research and Development, Merck & Co., Inc., Rahway, NJ, 07065, USA., Wakatsuki S; SLAC National Accelerator Laboratory, Stanford Synchrotron Radiation Lightsource, Structural Molecular Biology, Menlo Park, CA, 94025, USA. soichi.wakatsuki@stanford.edu.; SLAC National Accelerator Laboratory, Stanford Synchrotron Radiation Lightsource, Biosciences, Menlo Park, CA, 94025, USA. soichi.wakatsuki@stanford.edu.; Department of Structural Biology, Stanford University, Stanford, CA, 94305, USA. soichi.wakatsuki@stanford.edu.; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA. soichi.wakatsuki@stanford.edu., Jacobson D; National Virtual Biotechnology Laboratory, US Department of Energy, Washington, DC, USA. jacobsonda@ornl.gov.; Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA. jacobsonda@ornl.gov.
Publikováno v:
Nature communications [Nat Commun] 2022 Sep 08; Vol. 13 (1), pp. 5285. Date of Electronic Publication: 2022 Sep 08.