Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei
Published in Journal of chemical information and modeling (24.01.2011)
Published in Journal of chemical information and modeling (24.01.2011)
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Journal Article
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 generated from docking
Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei
Published in Journal of computational chemistry (15.04.2011)
Published in Journal of computational chemistry (15.04.2011)
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Journal Article
A fast and high-quality charge model for the next generation general AMBER force field
He, Xibing, Man, Viet H, Yang, Wei, Lee, Tai-Sung, Wang, Junmei
Published in The Journal of chemical physics (21.09.2020)
Published in The Journal of chemical physics (21.09.2020)
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High-resolution crystal structure of the human CB1 cannabinoid receptor
Shao, Zhenhua, Yin, Jie, Chapman, Karen, Grzemska, Magdalena, Clark, Lindsay, Wang, Junmei, Rosenbaum, Daniel M.
Published in Nature (London) (22.12.2016)
Published in Nature (London) (22.12.2016)
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Journal Article
General Copper-Catalyzed Transformations of Functional Groups from Arylboronic Acids in Water
Yang, Haijun, Li, Yong, Jiang, Min, Wang, Junmei, Fu, Hua
Published in Chemistry : a European journal (09.05.2011)
Published in Chemistry : a European journal (09.05.2011)
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Journal Article
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16–22 Dimer
Man, Viet Hoang, He, Xibing, Derreumaux, Philippe, Ji, Beihong, Xie, Xiang-Qun, Nguyen, Phuong H, Wang, Junmei
Published in Journal of chemical theory and computation (12.02.2019)
Published in Journal of chemical theory and computation (12.02.2019)
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Journal Article
Cryo-EM Structure of the Human Cannabinoid Receptor CB2-Gi Signaling Complex
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
Published in Cell (20.02.2020)
Published in Cell (20.02.2020)
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Hierarchically porous hydrangea-like In2S3/In2O3 heterostructures for enhanced photocatalytic hydrogen evolution
Liu, Manli, Li, Pan, Wang, Shuaijun, Liu, Yingmin, Zhang, Jinqiang, Chen, Lin, Wang, Junmei, Liu, Yushan, Shen, Qi, Qu, Peng, Sun, Hongqi
Published in Journal of colloid and interface science (01.04.2021)
Published in Journal of colloid and interface science (01.04.2021)
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Anchoring Black Phosphorus Nanoparticles onto ZnS Porous Nanosheets: Efficient Photocatalyst Design and Charge Carrier Dynamics
Wang, Lijing, Hu, Youyou, Qi, Fei, Ding, Lei, Wang, Junmei, Zhang, Xueyu, Liu, Qianwen, Liu, Lizhe, Sun, Haizhu, Qu, Peng
Published in ACS applied materials & interfaces (19.02.2020)
Published in ACS applied materials & interfaces (19.02.2020)
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Journal Article
Recent advances on aqueous solubility prediction
Wang, Junmei, Hou, Tingjun
Published in Combinatorial chemistry & high throughput screening (01.06.2011)
Published in Combinatorial chemistry & high throughput screening (01.06.2011)
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