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Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics SimulationAn, Xiaoli; Bai, Qifeng; Bai, Fang; Shi, Danfeng; Liu, Huanxiang; Yao, Xiaojun · Frontiers in Chemistry · 2019
Modeling a New Water Channel That Allows SET9 to Dimethylate p53Bai, Qifeng; Shen, Yulin; Yao, Xiaojun; Wang, Fang; Du, Yuping; Wang, Qin; Jin, Nengzhi; Hai, Jun; Hu, Tiejun; Yang, Jinbo; Fraternali, Franca · PLoS ONE · 2011
Computational Study on the Different Ligands Induced Conformation Change of β2 Adrenergic Receptor-Gs Protein ComplexBai, Qifeng; Zhang, Yang; Ban, Yihe; Liu, Huanxiang; Yao, Xiaojun; Salsbury Jr, Freddie · PLoS ONE · 2013
Structural Diversity and Initial Oligomerization of PrP106–126 Studied by Replica-Exchange and Conventional Molecular Dynamics SimulationsNing, Lulu; Guo, Jingjing; Bai, Qifeng; Jin, Nengzhi; Liu, Huanxiang; Yao, Xiaojun; Carloni, Paolo · PLoS ONE · 2014
Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov State ModelZhang, Jintu; Bai, Qifeng; Pérez Sánchez, Horacio; Shang, Shuxia; An, Xiaoli; Yao, Xiaojun · Physical Chemistry Chemical Physics · 2019
Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulationsBai, Qifeng; Shi, Danfeng; Zhang, Yang; Liu, Huanxiang; Yao, Xiaojun · Molecular BioSystems · 2014
Conformation Transition of Intracellular Part of Glucagon Receptor in Complex With Agonist Glucagon by Conventional and Accelerated Molecular Dynamics SimulationsBai, Qifeng; Tan, Shuoyan; Pérez-Sánchez, Horacio; Feng, Haixia; Feng, Liya; Liu, HuanXiang; Yao, Xiaojun · Frontiers in Chemistry · 2019
Femtosecond-Pulsed Plasmonic NanotweezersRoxworthy, Brian J.; Toussaint, Kimani C. · Scientific Reports · 2012
Magnetic lightKuznetsov, Arseniy I.; Miroshnichenko, Andrey E.; Fu, Yuan Hsing; Zhang, JingBo; Luk’yanchuk, Boris · Scientific Reports · 2012
Network CosmologyKrioukov, Dmitri; Kitsak, Maksim; Sinkovits, Robert S.; Rideout, David; Meyer, David; Boguñá, Marián · Scientific Reports · 2012
Paintable BatterySingh, Neelam; Galande, Charudatta; Miranda, Andrea; Mathkar, Akshay; Gao, Wei; Reddy, Arava Leela Mohana; Vlad, Alexandru; Ajayan, Pulickel M. · Scientific Reports · 2012
Toroidal Lasing SpaserHuang, Yao-Wei; Chen, Wei Ting; Wu, Pin Chieh; Fedotov, Vassili A.; Zheludev, Nikolay I.; Tsai, Din Ping · Scientific Reports · 2013
Compressive adaptive computational ghost imagingAβmann, Marc; Bayer, Manfred · Scientific Reports · 2013
State tomography via weak measurementsWu, Shengjun · Scientific Reports · 2013
Bandgap Opening by Patterning GrapheneDvorak, Marc; Oswald, William; Wu, Zhigang · Scientific Reports · 2013