[ACS] Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors |
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Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure
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LC每MS/MS-Guided Discovery of Sinapic Acid Derivatives from Lepidium sativum Seeds and Their Anti-inflammatory Activity
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Diverse Edge andExcitonic States of Ta2Ni3Te5 Nanoribbonsand Monolayer: Implicationsfor Nanoelectronics
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An OpenMM-BasedML/MM每MMGBSA Workflow for End-pointProtein每Ligand Binding Energy Ranking
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Room-Temperature Altermagnetic Nb2OX2(X = S, Se, Te) Monolayers with Controllable Valley Polarization: Implications to Spintronic Devices