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兰州大学机构库

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Deep Generation Model Guided by the Docking Score for Active Molecular Design 期刊论文
Journal of Chemical Information and Modeling, 2023, 卷号: 63, 期号: 10, 页码: 2983-2991
Authors:  Yang, Yuwei;  Hsieh, Chang-Yu;  Kang, Yu;  Hou, Tingjun;  Liu, Huanxiang;  Yao, Xiaojun
Favorite  |    Submit date：2023/07/18
Pharmacodynamics  Scaffolds  Auto encoders  Bayesian optimization  Docking score  Drug Design  Drug discovery  High activity  Matchings  Molecular design  Pharmacophores  Property  
预后评分体系在下消化道出血中的应用进展 期刊论文
医学研究杂志, 2023, 卷号: 52, 期号: 04, 页码: 175-178
Authors:  李艳;  苟国娥;  冯洁;  张耀平;  黄晓俊
Favorite  |    Submit date：2023/05/25
下消化道出血  危险分层  评分  临床预后  
Improving drug-target affinity prediction via feature fusion and knowledge distillation 期刊论文
BRIEFINGS IN BIOINFORMATICS, 2023
Authors:  Lu, Ruiqiang;  Wang, Jun;  Li, Pengyong;  Li, Yuquan;  Tan, Shuoyan;  Pan, Yiting;  Liu, Huanxiang;  Gao, Peng;  Xie, Guotong;  Yao, Xiaojun...Lu, Ruiqiang;  Wang, Jun;  Li, Pengyong;  Li, Yuquan;  Tan, Shuoyan;  Pan, Yiting;  Liu, Huanxiang;  Gao, Peng;  Xie, Guotong;  Yao, Xiaojun
Favorite  |    Submit date：2023/05/25
drug-target affinity prediction  graph neural network  knowledge distillation  virtual screening  
The alpha-Synuclein Monomer May Have Different Misfolding Mechanisms in the Induction of alpha-Synuclein Fibrils with Different Polymorphs 期刊论文
BIOMOLECULES, 2023, 卷号: 13, 期号: 4
Authors:  Zhao, Nannan;  Zhang, Qianqian;  Yu, Fansen;  Yao, XJ(姚小军);  Liu, HX(刘焕香)
Favorite  |    Submit date：2023/07/18
alpha-synuclein fibrils  template-induced misfolding  steered MD simulation  DCCM  secondary structure analysis  residue interaction network  
The impact of pre-adulthood urbanicity on hippocampal subfield volumes and neurocognitive abilities in young adults 期刊论文
Environment International, 2023, 卷号: 174
Authors:  Liu, Mengge;  Han, Tong;  Wu, Yue;  Cheng, Jingliang;  Zhang, Longjiang;  Zhang, Bing;  Zuo, Xi-Nian;  Zhu, Wenzhen;  Qiu, Shijun;  Geng, Zuojun...Liu, Mengge;  Han, Tong;  Wu, Yue;  Cheng, Jingliang;  Zhang, Longjiang;  Zhang, Bing;  Zuo, Xi-Nian;  Zhu, Wenzhen;  Qiu, Shijun;  Geng, Zuojun;  Zhang, Xiaochu;  Cui, Guangbin;  Zhang, Quan;  Yu, Yongqiang;  Zhang, Hui;  Gao, Bo;  Xu, Xiaojun;  Yao, Zhenwei;  Qin, Wen;  Liang, Meng;  Liu, Feng;  Guo, Lining;  Xu, Qiang;  Fu, Jilian;  Xu, Jiayuan;  Tang, Jie;  Liu, Nana;  Xue, Kaizhong;  Zhang, Peng;  Li, Wei;  Shi, Dapeng;  Wang, Caihong;  Gao, Jia-Hong;  Lui, Su;  Yan, Zhihan;  Chen, Feng;  Li, Jiance;  Zhang, Jing;  Shen, Wen;  Miao, Yanwei;  Xian, Junfang;  Yu, Le;  Xu, Kai;  Wang, Meiyun;  Ye, Zhaoxiang;  Liao, Wei-Hua;  Wang, Dawei;  Yu, Chunshui
Favorite  |    Submit date：2023/05/25
Brain  Functional neuroimaging  Condition  Hippocampal subfield  Neurocognition  Night time lights  Remote-sensing  Subfields  Urban  Urban areas  Working memory  Young adults  
Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 250
Authors:  Wen, Tingyu;  Wang, Jun;  Lu, Ruiqiang;  Tan, Shuoyan;  Li, Pengyong;  Yao, Xiaojun;  Liu, Huanxiang;  Yi, Zongbi;  Li, Lixi;  Liu, Shuning...Wen, Tingyu;  Wang, Jun;  Lu, Ruiqiang;  Tan, Shuoyan;  Li, Pengyong;  Yao, Xiaojun;  Liu, Huanxiang;  Yi, Zongbi;  Li, Lixi;  Liu, Shuning;  Gao, Peng;  Qian, Haili;  Xie, Guotong;  Ma, Fei
Favorite  |    Submit date：2023/04/12
Deep learning  Drug-target interaction  Virtual screening  Cyclin-dependent 12 inhibitor  Breast cancer  
Interface engineering with porous graphene as deposition regulator of stable Zn metal anode for long-life Zn-ion capacitor 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2023, 卷号: 631, 页码: 135-146
Authors:  Hu, Lei;  Yang, Kai;  Zhang, Yunpeng;  Wang, Nengze;  Sun, Mengxuan;  Li, Zhijie;  Yao, XJ(姚小军);  Jia, Chunyang
Favorite  |    Submit date：2023/02/22
Interface engineering  Porous graphene coating  Deposition regulator  Stable Zn metal anode  Aqueous Zn-ion capacitor  
Theoretical Studies on Selectivity of HPK1/JAK1 Inhibitors by Molecular Dynamics Simulations and Free Energy Calculations 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2023, 卷号: 24, 期号: 3
Authors:  Ge, Huizhen;  Tang, Chunchao;  Pan, Yiting;  Yao, XJ(姚小军)
Favorite  |    Submit date：2023/04/12
HPK1 inhibitor  selectivity mechanism  molecular dynamics simulation  binding free energy  umbrella sampling simulations  
Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2023, 卷号: 24, 期号: 4
Authors:  Wang, Fengling;  Ye, Wenling;  He, YX(何永兴);  Zhong, Haiyang;  Zhu, Yongchang;  Han, Jianting;  Gong, Xiaoqing;  Tian, Yanan;  Wang, Yuwei;  Wang, Shuang...Wang, Fengling;  Ye, Wenling;  He, YX(何永兴);  Zhong, Haiyang;  Zhu, Yongchang;  Han, Jianting;  Gong, Xiaoqing;  Tian, Yanan;  Wang, Yuwei;  Wang, Shuang;  Ji, Shaoping;  Liu, Huanxiang;  Yao, XJ(姚小军)
Favorite  |    Submit date：2023/04/12
PD-1  PD-L1  small-molecule inhibitor  CBPA  cancer immunotherapy  
Interface engineering with porous graphene as deposition regulator of stable Zn metal anode for long-life Zn-ion capacitor 期刊论文
Journal of Colloid and Interface Science, 2023, 卷号: 631, 页码: 135-146
Authors:  Hu, Lei;  Yang, Kai;  Zhang, Yunpeng;  Wang, Nengze;  Sun, Mengxuan;  Li, Zhijie;  Yao, Xiaojun;  Jia, Chunyang
Favorite  |    Submit date：2023/01/03
Anodes  Graphene  Ions  Metals  Aqueous zinc-ion capacitor  Deposition regulator  Graphene coatings  Interface engineering  Metal anodes  Porous graphene  Porous graphene coating  Stable zinc metal anode  Zinc ions  Zinc metal