Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study von Wang, Junmei

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Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations von Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei

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Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses... von Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei

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A fast and high-quality charge model for the next generation general AMBER force field von He, Xibing, Man, Viet H., Yang, Wei, Lee, Tai-Sung, Wang, Junmei

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Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand Charge Models von Xu, Lei, Sun, Huiyong, Li, Youyong, Wang, Junmei, Hou, Tingjun

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Application of molecular dynamics simulations in molecular property prediction II: Diffusion coefficient von Wang, Junmei, Hou, Tingjun

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High-resolution crystal structure of the human CB1 cannabinoid receptor von Shao, Zhenhua, Yin, Jie, Chapman, Karen, Grzemska, Magdalena, Clark, Lindsay, Wang, Junmei, Rosenbaum, Daniel M.

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Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculations von Wang, Junmei, Hou, Tingjun

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Identification and characterization of HAK/KUP/KT potassium transporter gene family in barley and their expression under abiotic stress von Cai, Kangfeng, Zeng, Fanrong, Wang, Junmei, Zhang, Guoping

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General Copper-Catalyzed Transformations of Functional Groups from Arylboronic Acids in Water von Yang, Haijun, Li, Yong, Jiang, Min, Wang, Junmei, Fu, Hua

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Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of PHF6 Peptide of Tau Protein von Man, Viet Hoang, He, Xibing, Gao, Jie, Wang, Junmei

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Cryo-EM Structure of the Human Cannabinoid Receptor CB2-Gi Signaling Complex von Xing, Changrui, Zhuang, Youwen, Xu, Ting-Hai, Feng, Zhiwei, Zhou, X. Edward, Chen, Maozi, Wang, Lei, Meng, Xing, Xue, Ying, Wang, Junmei, Liu, Heng, McGuire, Terence Francis, Zhao, Gongpu, Melcher, Karsten, Zhang, Cheng, Xu, H. Eric, Xie, Xiang-Qun

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Hierarchically porous hydrangea-like In2S3/In2O3 heterostructures for enhanced photocatalytic hydrogen evolution von Liu, Manli, Li, Pan, Wang, Shuaijun, Liu, Yingmin, Zhang, Jinqiang, Chen, Lin, Wang, Junmei, Liu, Yushan, Shen, Qi, Qu, Peng, Sun, Hongqi

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Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16–22 Dimer von Man, Viet Hoang, He, Xibing, Derreumaux, Philippe, Ji, Beihong, Xie, Xiang-Qun, Nguyen, Phuong H, Wang, Junmei

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Outcome of adjuvant radiotherapy after total hysterectomy in patients with uterine leiomyosarcoma or carcinosarcoma: a SEER-based study von Li, Yuan, Ren, Haitao, Wang, Junmei

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Novel MscL agonists that allow multiple antibiotics cytoplasmic access activate the channel through a common binding site von Wray, Robin, Wang, Junmei, Iscla, Irene, Blount, Paul

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Anchoring Black Phosphorus Nanoparticles onto ZnS Porous Nanosheets: Efficient Photocatalyst Design and Charge Carrier Dynamics von Wang, Lijing, Hu, Youyou, Qi, Fei, Ding, Lei, Wang, Junmei, Zhang, Xueyu, Liu, Qianwen, Liu, Lizhe, Sun, Haizhu, Qu, Peng

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P-loop conformation governed crizotinib resistance in G2032R-mutated ROS1 tyrosine kinase: clues from free energy landscape von Sun, Huiyong, Li, Youyong, Tian, Sheng, Wang, Junmei, Hou, Tingjun

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Crystal structure of the human sterol transporter ABCG5/ABCG8 von Lee, Jyh-Yeuan, Kinch, Lisa N., Borek, Dominika M., Wang, Jin, Wang, Junmei, Urbatsch, Ina L., Xie, Xiao-Song, Grishin, Nikolai V., Cohen, Jonathan C., Otwinowski, Zbyszek, Hobbs, Helen H., Rosenbaum, Daniel M.

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Automatic atom type and bond type perception in molecular mechanical calculations von Wang, Junmei, Wang, Wei, Kollman, Peter A., Case, David A.

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