Machine Learning Molecular Dynamics Shows Anomalous Entropic Effect on Catalysis via Surface Pre-melting of NanoclustersAuthors: Fu-Qiang Gong, Yun-Pei Liu, Ye Wang, Weinan E, Zhong-Qun Tian, Jun Cheng*Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202405379
Reinvent Aliphatic Arsenicals as Reversible Covalent Warheads toward Targeted Kinase Inhibition and Non-acute Promyelocytic Leukemia Cancer TreatmentAuthors: Yang Zhao, Xinyue Zhao, Lewei Duan, Ruxue Hou, Yuxin Gu, Zhen Liu, Jianbin Chen, Feizhen Wu, Limin Yang, X. Chris Le, Qiuquan Wang, and Xiaowen Yan*Link: https...
Accelerating Computation of Acidity Constants and Redox Potentials for Aqueous Organic Redox Flow Batteries by Machine Learning Potential-Based Molecular DynamicsAuthors: Feng Wang, Zebing Ma, and Jun Cheng**Link: https://pubs.acs.org/doi/10.1021/jacs.4c01221
Lead Optimization of Butyrolactone-I as Orally Bioavailable Anti-Allergic Agent Targeting FcγRIIBnAuthors: Chun-Lan Xie, Hong-Xiu Xiao, Pei-Fang Song, Qing-Mei Liu, Haoxiang Wei, Liang Wu, Guang-Hao Zhu, Guang-Ming Liu*, Yandong Zhang*, Ping Wang*, and Xian-Wen Yang*Link: https://pubs.acs.org/doi/10.1021/acs.jmedch...
Visualizing the Structural Evolution of Individual Active Sites in MoS2 during Electrocatalytic Hydrogen Evolution ReactionAuthors: Teng-Xiang Huang, Xin Cong, Si-Si Wu, Jiang-Bin Wu, Yi-Fan Bao, Mao-Feng Cao, Liwen Wu, Miao-Ling Lin, Xiang Wang*, Ping-Heng Tan* & Bin Ren *Link: https://www.nature.com/articles/s4192...
Asymmetric Cross-Coupling of Aldehydes with Diverse Carbonyl or Iminyl Compounds by Photoredox-Mediated Cobalt CatalysisAuthors: Zhiyong Chi, Jia-Bin Liao, Xiuliang Cheng, Ziqi Ye, Wei Yuan, Yu-Mei Lin, and Lei Gong*Link: https://pubs.acs.org/doi/full/10.1021/jacs.4c01443
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