General synthesis of single-atom catalysts with high metal loading using graphene quantum dots von Xia, Chuan, Qiu, Yunrui, Xia, Yang, Zhu, Peng, King, Graham, Zhang, Xiao, Wu, Zhenyu, Kim, Jung Yoon (Timothy), Cullen, David A., Zheng, Dongxing, Li, Peng, Shakouri, Mohsen, Heredia, Emilio, Cui, Peixin, Alshareef, Husam N., Hu, Yongfeng, Wang, Haotian

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Surface Plasmon Enabling Nitrogen Fixation in Pure Water through a Dissociative Mechanism under Mild Conditions von Hu, Canyu, Chen, Xing, Jin, Jianbo, Han, Yong, Chen, Shuangming, Ju, Huanxin, Cai, Jun, Qiu, Yunrui, Gao, Chao, Wang, Chengming, Qi, Zeming, Long, Ran, Song, Li, Liu, Zhi, Xiong, Yujie

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Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes von Wu, Yue, Cao, Siqin, Qiu, Yunrui, Huang, Xuhui

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Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels von Cao, Siqin, Qiu, Yunrui, Kalin, Michael L., Huang, Xuhui

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Kinetic network models to study molecular self-assembly in the wake of machine learning von Liu, Bojun, Qiu, Yunrui, Goonetilleke, Eshani C., Huang, Xuhui

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GraphVAMPnets for uncovering slow collective variables of self-assembly dynamics von Liu, Bojun, Xue, Mingyi, Qiu, Yunrui, Konovalov, Kirill A., O’Connor, Michael S., Huang, Xuhui

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Disease mutations and phosphorylation alter the allosteric pathways involved in autoinhibition of protein phosphatase 2A von Konovalov, Kirill A., Wu, Cheng-Guo, Qiu, Yunrui, Balakrishnan, Vijaya Kumar, Parihar, Pankaj Singh, O’Connor, Michael S., Xing, Yongna, Huang, Xuhui

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Non-Markovian Dynamic Models Identify Non-Canonical KRAS-VHL Encounter Complex Conformations for Novel PROTAC Design von Qiu, Yunrui, Wiewiora, Rafal P., Izaguirre, Jesus A., Xu, Huafeng, Sherman, Woody, Tang, Weiping, Huang, Xuhui

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Markov state modeling reveals chromatin destabilization in nucleosome condensates von Qiu, Yunrui, Liu, Shuming, Lin, Xingcheng, Unarta, Ilona C., Huang, Xuhui, Zhang, Bin

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Information Bottleneck Approach for Markov Model Construction von Wang, Dedi, Qiu, Yunrui, Beyerle, Eric R., Huang, Xuhui, Tiwary, Pratyush

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An Efficient Path Classification Algorithm Based on Variational Autoencoder to Identify Metastable Path Channels for Complex Conformational Changes von Qiu, Yunrui, O’Connor, Michael S., Xue, Mingyi, Liu, Bojun, Huang, Xuhui

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An Efficient Path Classification Algorithm Based on Variational Auto-Encoder to Identify Metastable Path Channels for Complex Conformational Changes von Qiu, Yunrui, O’Connor, Michael S., Xue, Mingyi, Liu, Bojun, Huang, Xuhui

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The Ion-Dipole Correction of the 3DRISM Solvation Model to Accurately Compute Water Distributions around Negatively Charged Biomolecules von Cao, Siqin, Qiu, Yunrui, Unarta, Ilona C., Goonetilleke, Eshani C., Huang, Xuhui

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Efficient photoelectrochemical CO2 conversion for selective acetic acid production von Wang, Xiaonong, Gao, Chao, Low, Jingxiang, Mao, Keke, Duan, Delong, Chen, Shuangming, Ye, Run, Qiu, Yunrui, Ma, Jun, Zheng, Xusheng, Long, Ran, Wu, Xiaojun, Song, Li, Zhu, Junfa, Xiong, Yujie

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Efficient photoelectrochemical CO 2 conversion for selective acetic acid production von Wang, Xiaonong, Gao, Chao, Low, Jingxiang, Mao, Keke, Duan, Delong, Chen, Shuangming, Ye, Run, Qiu, Yunrui, Ma, Jun, Zheng, Xusheng, Long, Ran, Wu, Xiaojun, Song, Li, Zhu, Junfa, Xiong, Yujie

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Coarse-graining conformational dynamics with multi-dimensional generalized Langevin equation: how, when, and why von Xie, Pinchen, Qiu, Yunrui, Weinan, E

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Unsupervised machine learning for supercooled liquids von Qiu, Yunrui, Jang, Inhyuk, Huang, Xuhui, Yethiraj, Arun

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An Information Bottleneck Approach for Markov Model Construction von Wang, Dedi, Qiu, Yunrui, Beyerle, Eric, Huang, Xuhui, Tiwary, Pratyush

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An Information Bottleneck Approach for Markov Model Construction von Wang, Dedi, Qiu, Yunrui, Beyerle, Eric, Huang, Xuhui, Tiwary, Pratyush

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An Information Bottleneck Approach for Markov Model Construction von Wang, Dedi, Qiu, Yunrui, Beyerle, Eric, Huang, Xuhui, Tiwary, Pratyush

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