DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
Lu, Wei, Zhang, Jixian, Huang, Weifeng, Zhang, Ziqiao, Jia, Xiangyu, Wang, Zhenyu, Shi, Leilei, Li, Chengtao, Wolynes, Peter G, Zheng, Shuangjia
Published in Nature communications (05.02.2024)
Published in Nature communications (05.02.2024)
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Journal Article
Ancient poetry generation with an unsupervised method
Zhang, Zhanjun, Zhang, Haoyu, Wan, Qian, Jia, Xiangyu, Zhang, Zhe, Liu, Jie
Published in Neural computing & applications (01.06.2022)
Published in Neural computing & applications (01.06.2022)
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Journal Article
Thermal decomposition mechanism of HMX/HTPB hybrid explosives studied by reactive molecular dynamics
Chen, Fang, Li, Tianhao, Zhao, Linxiu, Guo, Guoqi, Dong, Ling, Mi, Fangqi, Jia, Xiangyu, Ning, Ruixing, Wang, Jianlong, Cao, Duanlin
Published in Journal of molecular modeling (01.07.2024)
Published in Journal of molecular modeling (01.07.2024)
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Journal Article
An Approach to Computing Solvent Reorganization Energy
Wang, Bo, Li, Cuiyu, Xiangyu, Jia, Zhu, Tong, Zhang, John Z. H
Published in Journal of chemical theory and computation (13.10.2020)
Published in Journal of chemical theory and computation (13.10.2020)
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Journal Article
Terahertz spin-to-charge conversion in ferromagnetic Ni nanofilms
Cheng, Hao, Wang, Yangkai, Liu, Zheng, Jia, Xiangyu, Huang, Qiuping, Lu, Yalin
Published in Nanophotonics (Berlin, Germany) (14.06.2023)
Published in Nanophotonics (Berlin, Germany) (14.06.2023)
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Journal Article
Synthesis of syndiotactic cis-1,4-polypentadiene by using ternary neodymium-based catalyst
Jia, Xiangyu, Hu, Yanming, Dai, Quanquan, Bi, Jifu, Bai, Chenxi, Zhang, Xuequan
Published in Polymer (Guilford) (01.05.2013)
Published in Polymer (Guilford) (01.05.2013)
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Journal Article
Nitrogen‐doping activated biomass carbon from tea seed shell for CO2 capture and supercapacitor
Quan, Cui, Jia, Xiangyu, Gao, Ningbo
Published in International journal of energy research (01.02.2020)
Published in International journal of energy research (01.02.2020)
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Journal Article
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation
Li, Pengfei, Jia, Xiangyu, Pan, Xiaoliang, Shao, Yihan, Mei, Ye
Published in Journal of chemical theory and computation (13.11.2018)
Published in Journal of chemical theory and computation (13.11.2018)
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Journal Article
Modeling and simulation of coupled pyrolysis and gasification of oily sludge in a rotary kiln
Gao, Ningbo, Jia, Xiangyu, Gao, Guanqun, Ma, Zhengzhao, Quan, Cui, Naqvi, Salman Raza
Published in Fuel (Guildford) (01.11.2020)
Published in Fuel (Guildford) (01.11.2020)
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Journal Article
Common pool resource governance in strong-government context: A case study of caterpillar fungus (Ophiocordyceps sinensis) on the Qinghai-Tibet Plateau
Zhang, Zhiqi, Jia, Xiangyu, Gongbu, Zeren, He, Dingling, Li, Wenjun
Published in Environmental science & policy (01.02.2024)
Published in Environmental science & policy (01.02.2024)
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Journal Article
Effect of carbonization temperature on CO2 adsorption behavior of activated coal char
Quan, Cui, Wang, Huihui, Jia, Xiangyu, Gao, Ningbo
Published in Journal of the Energy Institute (01.08.2021)
Published in Journal of the Energy Institute (01.08.2021)
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Journal Article