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Journal of Computational Chemistry|August 12, 2023
Calculating 13 C NMR chemical shifts of large molecules using the eXtended ONIOM method at high accuracy with a low costZhipeng Ke, Jingwei Weng, Xin XuJournal of Chemical Theory and Computation|June 2, 2026
Computing Paramagnetic 13C NMR Chemical Shifts of Cobalt(II) Porphyrins with the eXtended ONIOM MethodZhipeng Ke, Jingwei Weng, Michael Bühl, et al.Journal of Chemical Information and Modeling|November 6, 2025
Dual-Channel Multiscale Graph Transformer with Adversarial Contrastive Learning and Low-Rank Disentangled Stratified Negative Sampling for Drug RepositioningPeng Zhang, Zhipeng Ke, Xiaohan Mao, et al.Chemical Science|March 28, 2022
Origin of the temperature dependence of 13C pNMR shifts for copper paddlewheel MOFsZhipeng Ke, Daniel M Dawson, Sharon E Ashbrook, et al.Solid State Nuclear Magnetic Resonance|May 15, 2019
NMR chemical shifts of urea loaded copper benzoate. A joint solid-state NMR and DFT studyZhipeng Ke, Lauren E Jamieson, Daniel M Dawson, et al.Plos One|February 13, 2016
Luteoloside Acts as 3C Protease Inhibitor of Enterovirus 71 In VitroZeyu Cao, Yue Ding, Zhipeng Ke, et al.Interdisciplinary Sciences, Computational Life Sciences|March 5, 2026
MLDTA an Ensemble-Driven Multimodal Model with Dynamic Fusion for Drug-Target Affinity PredictionXiaohan Mao, Peng Zhang, Xinyu Xu, et al.Journal of Ethnopharmacology|June 28, 2022
Exploring therapeutic mechanisms of San-Huang-Tang in nonalcoholic fatty liver disease through network pharmacology and experimental validationHuilian Shi, Fei Qiao, Kaiyue Huang, et al.Bioorganic & Medicinal Chemistry Letters|July 18, 2017
Discovery of a potent angiotensin converting enzyme inhibitor via virtual screeningZhipeng Ke, Zhenzhen Su, Xinzhuang Zhang, et al.Chemical Communications (Cambridge, England)|September 5, 2017
Calculation and experimental measurement of paramagnetic NMR parameters of phenolic oximate Cu(ii) complexesDaniel M Dawson, Zhipeng Ke, Frederick M Mack, et al.Pageof 2