Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations von Fu, Haohao, Shao, Xueguang, Chipot, Christophe, Cai, Wensheng

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Development and clinical application of a rapid IgM‐IgG combined antibody test for SARS‐CoV‐2 infection diagnosis von Li, Zhengtu, Yi, Yongxiang, Luo, Xiaomei, Xiong, Nian, Liu, Yang, Li, Shaoqiang, Sun, Ruilin, Wang, Yanqun, Hu, Bicheng, Chen, Wei, Zhang, Yongchen, Wang, Jing, Huang, Baofu, Lin, Ye, Yang, Jiasheng, Cai, Wensheng, Wang, Xuefeng, Cheng, Jing, Chen, Zhiqiang, Sun, Kangjun, Pan, Weimin, Zhan, Zhifei, Chen, Liyan, Ye, Feng

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Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding Valleys von Fu, Haohao, Zhang, Hong, Chen, Haochuan, Shao, Xueguang, Chipot, Christophe, Cai, Wensheng

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A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra von Cai, Wensheng, Li, Yankun, Shao, Xueguang

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Chemometrics: An Excavator in Temperature-Dependent Near-Infrared Spectroscopy von Sun, Yan, Cai, Wensheng, Shao, Xueguang

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Revealing the Mechanism of Irreversible Binding of Antifreeze Glycoproteins to Ice von Zhang, Weijia, Liu, Han, Fu, Haohao, Shao, Xueguang, Cai, Wensheng

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Regulation of aquaporin-3 water permeability by hyaluronan von Zhang, Hong, Cai, Wensheng, Shao, Xueguang

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Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations von Fu, Haohao, Chen, Haochuan, Blazhynska, Marharyta, Goulard Coderc de Lacam, Emma, Szczepaniak, Florence, Pavlova, Anna, Shao, Xueguang, Gumbart, James C., Dehez, François, Roux, Benoît, Cai, Wensheng, Chipot, Christophe

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Understanding the function of water during the gelation of globular proteins by temperature-dependent near infrared spectroscopy von Ma, Li, Cui, Xiaoyu, Cai, Wensheng, Shao, Xueguang

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A Toolkit for the Analysis of Free-Energy Perturbation Calculations von Liu, Peng, Dehez, François, Cai, Wensheng, Chipot, Christophe

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Mutual factor analysis for quantitative analysis by temperature dependent near infrared spectra von Shao, Xueguang, Cui, Xiaoyu, Yu, Xiaoming, Cai, Wensheng

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Mechanism and biomass association of glucuronoyl esterase: an α/β hydrolase with potential in biomass conversion von Zong, Zhiyou, Mazurkewich, Scott, Pereira, Caroline S., Fu, Haohao, Cai, Wensheng, Shao, Xueguang, Skaf, Munir S., Larsbrink, Johan, Lo Leggio, Leila

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The lubricating role of water in the shuttling of rotaxanes von Fu, Haohao, Shao, Xueguang, Chipot, Christophe, Cai, Wensheng

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Binding mechanism of full-length Aβ40 peptide to a mixed lipid bilayer von Wang, Ke, Cai, Wensheng

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Chemometric algorithms for analyzing high dimensional temperature dependent near infrared spectra von Cui, Xiaoyu, Zhang, Jin, Cai, Wensheng, Shao, Xueguang

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Understanding the Interaction Between Oligopeptide and Water in Aqueous Solution Using Temperature-Dependent Near-Infrared Spectroscopy von Cheng, Dan, Cai, Wensheng, Shao, Xueguang

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Glucose induced variation of water structure from temperature dependent near infrared spectra von Cui, Xiaoyu, Cai, Wensheng, Shao, Xueguang

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Solvent and Structure Effects on the Shuttling in Pillar[5]arene/Triazole Rotaxanes von Wang, Shuangshuang, Shao, Xueguang, Cai, Wensheng

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Sonoporation at Small and Large Length Scales: Effect of Cavitation Bubble Collapse on Membranes von Fu, Haohao, Comer, Jeffrey, Cai, Wensheng, Chipot, Christophe

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Antifreeze Mechanism of Antifreeze Agents by Near Infrared Spectroscopy and Molecular Simulations von Wang, Haipeng, Cai, Wensheng, Shao, Xueguang

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