Title: Ligand-Conditioned Side Chain Packing for Flexible Molecular DockingAuthors: Ding Luo, Xiaoyang Qu, Dexin Lu, Yiqiu Wang, Lina Dong, Binju WangAbstract: Molecular docking is a crucial technique for elucidating protein–ligand interactions. Machine learning-based docking methods offer promising advantages over...
Title: Supramolecular Diodes with Donor–Acceptor InteractionsAuthors: Wei Xu, Hua Zhang, Yu Zhou, Taige Lu, Yuting Li, Yixuan Zhu, Caiyun Wei, Jueting Zheng, Ruihao Li, Jing Li, Lijue Chen, Guanxin Zhang, Jia Shi, Junyang Liu*, Deqing Zhang*, Wenjing Hong*Abstract: Inspired by the initial proposal of σ-bridged don...
[Advanced Materials] Prof. Jun Li published a paper entitled “Synergistically Enhanced Co-Adsorption of Reactant and Hydroxyl on Platinum-Modified Copper Oxide for High-Performance HMF Oxidation”Title: Synergistically Enhanced Co-Adsorption of Reactant and Hydroxyl on Platinum-Modified Copper Oxide for High-Perfor...
Title: Revealing the CO Tolerance Mechanism in Acidic Hydrogen Oxidation Reactions on Platinum-Based Catalyst SurfacesAuthors: Zi-Han Chen, Xing Chen, Wei Kang, Shi-Sheng Zheng, Quan-Feng He, Qiong-Qiong Li, Yu-Xing Zhang, Yu-Cheng Hou, Jing-Hua Tian, Jin-Chao Dong, Jian-Feng Li*Abstract: The presence of trace CO im...
Title: Catalyst-Free Nitrogen Fixation by Microdroplets through a Radical-Mediated Disproportionation Mechanism under Ambient ConditionsAuthors: Yanjie Wang, Jin Luo, Ye-Guang Fang, Zi-Ang Nan, Xi Cui, Ting Chen, Xiangbiao Zeng, Xiaofei Wang, Xianmeng Song, Jiawei Zhao, Weixin Li, Chen Zeng, Daliang Chen, Chongqin Z...
Title: Molecular Photoelectrocatalysis for Radical ReactionsAuthors: Peng Xiong, Hai-Chao Xu*Abstract: Molecular photoelectrocatalysis, which combines the merits of photocatalysis and organic electrosynthesis, including their green attributes and capacity to offer novel reactivity and selectivity, represents an emer...
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