兰州大学机构库

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Introducing block design in graph neural networks for molecular properties prediction 期刊论文
Chemical Engineering Journal, 2021, 卷号: 414
Authors:  Li, Yuquan;  Li, Pengyong;  Yang, Xing;  Hsieh, Chang-Yu;  Zhang, Shengyu;  Wang, Xiaorui;  Lu, Ruiqiang;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
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Deep learning  Graph algorithms  Large dataset  Learning systems  Neural networks  Quantum theory  Approximate solution  Bioactivity prediction  Graph neural networks  Learning process  Machine learning methods  Many-body quantum systems  Mean absolute error  Molecular properties  
Uncovering the Effect of pS202/pT205/pS208 Triple Phosphorylations on the Conformational Features of the Key Fragment G192-T212 of Tau Protein 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2021, 卷号: 12, 期号: 6, 页码: 1039-1048
Authors:  Liu, Hongli;  Li, Qin;  Xiong, Chunmei;  Zhong, Haiyang;  Zhang, Qianqian;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
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Tau  replica exchange molecular dynamics  phosphorylation  structural features  
Discovery of a new inhibitor targeting PD-L1 for cancer immunotherapy 期刊论文
NEOPLASIA, 2021, 卷号: 23, 期号: 3, 页码: 281-293
Authors:  Wang, Fengling;  Ye, Wenling;  Wang, Shuang;  He, YX(何永兴);  Zhong, Haiyang;  Wang, Yuwei;  Zhu, Yongchang;  Han, Jianting;  Bing, Zhitong;  Ji, Shaoping...Wang, Fengling;  Ye, Wenling;  Wang, Shuang;  He, YX(何永兴);  Zhong, Haiyang;  Wang, Yuwei;  Zhu, Yongchang;  Han, Jianting;  Bing, Zhitong;  Ji, Shaoping;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
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PD-1  PD-L1  Inhibitor  APBC  Cancer immunotherapy  
Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes 期刊论文
CELL, 2021, 卷号: 184, 期号: 4, 页码: 943-+
Authors:  Xiao, Peng;  Yan, Wei;  Gou, Lu;  Zhong, Ya-Ni;  Kong, Liangliang;  Wu, Chao;  Wen, Xin;  Yuan, Yuan;  Cao, Sheng;  Qu, Changxiu...Xiao, Peng;  Yan, Wei;  Gou, Lu;  Zhong, Ya-Ni;  Kong, Liangliang;  Wu, Chao;  Wen, Xin;  Yuan, Yuan;  Cao, Sheng;  Qu, Changxiu;  Yang, Xin;  Yang, Chuan-Cheng;  Xia, Anjie;  Hu, Zhenquan;  Zhang, Qianqian;  He, Yong-Hao;  Zhang, Dao-Lai;  Zhang, Chao;  Hou, Gui-Hua;  Liu, HX(刘焕香);  Zhu, Lizhe;  Fu, Ping;  Yang, Shengyong;  Rosenbaum, Daniel M.;  Sun, Jin-Peng;  Du, Yang;  Zhang, Lei;  Yu, Xiao;  Shao, Zhenhua
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A novel UBE2T inhibitor suppresses Wnt/beta-catenin signaling hyperactivation and gastric cancer progression by blocking RACK1 ubiquitination 期刊论文
ONCOGENE, 2021, 卷号: 40, 期号: 5, 页码: 1027-1042
Authors:  Yu, Zeyuan;  Jiang, Xiangyan;  Qin, Long;  Deng, Haixiao;  Wang, Jianli;  Ren, Wen;  Li, Hongbin;  Zhao, Lei;  Liu, HX(刘焕香);  Yan, Hong...Yu, Zeyuan;  Jiang, Xiangyan;  Qin, Long;  Deng, Haixiao;  Wang, Jianli;  Ren, Wen;  Li, Hongbin;  Zhao, Lei;  Liu, HX(刘焕香);  Yan, Hong;  Shi, Wengui;  Wang, Qi;  Luo, Changjiang;  Long, Bo;  Zhou, Huinian;  Sun, Hui;  Jiao, Zuoyi
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A new two-dimensional all-sp(3) carbon allotrope with an indirect band gap and superior carrier mobility 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 4, 页码: 2906-2913
Authors:  Yang, Xing;  Wang, Yuwei;  Xiao, Ruining;  Wen, Tao;  Shen, Yulin;  Liu, HX(刘焕香);  Wang, Yongfu;  Li, Ruiyun;  Yao, XJ(姚小军)
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A new two-dimensional semiconducting carbon allotrope with direct band gap: a first-principles prediction 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 卷号: 33, 期号: 4
Authors:  Yang, Xing;  Wang, Yuwei;  Xiao, Ruining;  Liu, HX(刘焕香);  Bing, Zhitong;  Zhang, Yang;  Yao, XJ(姚小军)
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2D carbon allotrope  semiconductor  tunable band gap  mechanical properties  
Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2021, 卷号: 1865, 期号: 1
Authors:  Zhao, Ning-lin;  Zhang, Qian-qian;  Zhao, Chang;  Liu, Li;  Li, Tao;  Li, Chang-cheng;  He, Li-hui;  Zhu, Yi-bo;  Song, Ying-jie;  Liu, HX(刘焕香)...Zhao, Ning-lin;  Zhang, Qian-qian;  Zhao, Chang;  Liu, Li;  Li, Tao;  Li, Chang-cheng;  He, Li-hui;  Zhu, Yi-bo;  Song, Ying-jie;  Liu, HX(刘焕香);  Bao, Rui
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Crotonase  Crystal structure  Dynamic simulation  Pseudomonas aeruginosa  
Virtual Screening and Bioactivity Evaluation of Novel Androgen Receptor Antagonists From Anti-PCa Traditional Chinese Medicine Prescriptions 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8
Authors:  Han, Wenya;  Shi, Yuqi;  Su, Jie;  Zhao, Zhennan;  Wang, X(王欣);  Li, JZ(李加忠);  Liu, HX(刘焕香)
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prostate cancer  androgen receptor  traditional Chinese medicine  virtual screening  activity evaluation  
Probing the Molecular Mechanism of Rifampin Resistance Caused by the Point Mutations S456L and D441V on Mycobacterium tuberculosis RNA Polymerase through Gaussian Accelerated Molecular Dynamics Simulation 期刊论文
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, 2020, 卷号: 64, 期号: 7
Authors:  Zhang, Qianqian;  Tan, Shuoyan;  Xiao, Tong;  Liu, Hongli;  Shah, Syed Jawad Ali;  Liu, HX(刘焕香)
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dynamic network analysis  GaMD simulation  MM-GBSA  Mycobacterium tuberculosis RNA polymerase  rifampin resistance