兰州大学机构库

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Quantum Chemical Calculations with Machine Learning for Multipolar Electrostatics Prediction in RNA: An Application to Pentose 期刊论文
Journal of Chemical Information and Modeling, 2022, 卷号: 62, 期号: 17, 页码: 4122-4133
Authors:  Yuan, YN(袁永娜);  Yan, Haoqiu;  Cui, Zeyang;  Liu, Zhenyu;  Su, W(苏伟);  Zhang, RS(张瑞生)
Favorite  |    Submit date:2022/11/08
Atoms  Bioinformatics  Electrostatics  Forecasting  Learning systems  Quantum chemistry  Radial basis function networks  RNA  Atomic multipole moments  Average energy  Electrostatic interaction energy  Energy error  Kriging  Machine-learning  Multipole moments  Prediction errors  Quantum chemical calculations  Quantum-chemical calculation  
Locating the propagation source on complex networks with Propagation Centrality algorithm 期刊论文
KNOWLEDGE-BASED SYSTEMS, 2016, 卷号: 100, 页码: 112-123
Authors:  Yang, Fan;  Zhang, RS(张瑞生);  Yao, Yabing;  Yuan, YN(袁永娜)
Favorite  |    Submit date:2017/01/16
Complex networks  Propagation source location  Susceptible-Infected (SI) model  Rationality Observation Value (ROV)  Propagation Centrality (PC) algorithm  Sparse obsenration  
Identification of top-k influential nodes based on enhanced discrete particle swarm optimization for influence maximization 期刊论文
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2019, 卷号: 513, 页码: 477-496
Authors:  Tang, Jianxin;  Zhang, RS(张瑞生);  Yao, Yabing;  Yang, Fan;  Zhao, ZL(赵志立);  Hu, RJ(胡荣静);  Yuan, YN(袁永娜)
Adobe PDF(739Kb)  |  Favorite  |    Submit date:2020/07/07
Social networks  Influence maximization  Metaheuristic  Discrete particle swarm optimization  Local search strategy  
Assessing Force Field Potential Energy Function Accuracy via a Multipolar Description of Atomic Electrostatic Interactions in RNA 期刊论文
Journal of Chemical Information and Modeling, 2018, 卷号: 58, 期号: 11, 页码: 2239-2254
Authors:  Yuan, YN(袁永娜);  Zhang, Zhuangzhuang;  Mills, Matthew J. L.;  Hu, RJ(胡荣静);  Zhang, RS(张瑞生)
Favorite  |    Submit date:2019/10/28
Using improved Restricted Boltzmann Machines for drug-disease Prediction 会议论文
2nd International Conference on Deep Learning Technologies, ICDLT 2018, Chongqing, China
Authors:  Ma, J(马浚);  Yuan, YN(袁永娜);  Guo, MC(郭明超)
Favorite  |    Submit date:2020/08/31
Effect of short-chain chlorinated paraffins (SCCPs) on lipid membranes: Combination of molecular dynamics and membrane damage experiments 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 775
Authors:  Liu, Wencheng;  Zhou, Haitao;  Qiu, Zhiqiang;  Liu, Tingting;  Yuan, YN(袁永娜);  Guan, Ruining;  Li, Ningqi;  Wang, Weilin;  Li, Xin;  Zhao, CY(赵春燕)...Liu, Wencheng;  Zhou, Haitao;  Qiu, Zhiqiang;  Liu, Tingting;  Yuan, YN(袁永娜);  Guan, Ruining;  Li, Ningqi;  Wang, Weilin;  Li, Xin;  Zhao, CY(赵春燕)
Favorite  |    Submit date:2021/04/16
Cells  Escherichia coli  Membranes  Metabolism  Molecular dynamics  Paraffins  Toxicity  Biological effects  Inhibitory effect  Lipid membranes  Membrane damage  Membrane potentials  Membrane properties  Molecular dynamics simulations  Short-chain chlorinated paraffins  
Quantum Chemical Calculations with Machine Learning for Multipolar Electrostatics Prediction in RNA: An Application to Pentose 期刊论文
Journal of Chemical Information and Modeling, 2022, 卷号: 62, 期号: 17, 页码: 4122-4133
Authors:  Yuan, YN(袁永娜);  Yan, Haoqiu;  Cui, Zeyang;  Liu, Zhenyu;  Su, W(苏伟);  Zhang, RS(张瑞生)
Favorite  |    Submit date:2023/01/03
Atoms  Bioinformatics  Electrostatics  Forecasting  Learning systems  Quantum chemistry  Radial basis function networks  RNA  Atomic multipole moments  Average energy  Electrostatic interaction energy  Energy error  Kriging  Machine-learning  Multipole moments  Prediction errors  Quantum chemical calculations  Quantum-chemical calculation  
Binding specificities of estrogen receptor with perfluorinated compounds: A cross species comparison 期刊论文
Environment International, 2020, 卷号: 134
Authors:  Qiu, Zhiqiang;  Qu, Kaili;  Luan, Feng;  Liu, Yaquan;  Zhu, Yu;  Yuan, YN(袁永娜);  Li, Hongyu;  Zhang, HX(张海霞);  Hai, Ying;  Zhao, CY(赵春燕)...Qiu, Zhiqiang;  Qu, Kaili;  Luan, Feng;  Liu, Yaquan;  Zhu, Yu;  Yuan, YN(袁永娜);  Li, Hongyu;  Zhang, HX(张海霞);  Hai, Ying;  Zhao, CY(赵春燕)
Favorite  |    Submit date:2020/08/27
Perfluorinated compounds (PFCs)  Estrogen receptor (ER)  Cross species comparison  Molecular dynamics  
EDC-DTI: An end-to-end deep collaborative learning model based on multiple information for drug-target interactions prediction 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 122
Authors:  Yuan, YN(袁永娜);  Zhang, Yuhao;  Meng, Xiangbo;  Liu, Zhenyu;  Wang, Bohan;  Miao, Ruidong;  Zhang, RS(张瑞生);  Su, W(苏伟);  Liu, Lei
Favorite  |    Submit date:2023/05/25
Classification (of information)  Decoding  Deep learning  Drug interactions  Heterogeneous networks  Learning systems  Collaborative learning model  Deep learning  Drug-target interactions  Drug–target interaction prediction  End to end  Graph attention network  Heterogeneous information  Interaction prediction  Model-based OPC  Predictive performance  
TranGRU: focusing on both the local and global information of molecules for molecular property prediction 期刊论文
APPLIED INTELLIGENCE, 2022
Authors:  Jiang, Jing;  Zhang, RS(张瑞生);  Ma, Jun;  Liu, Yunwu;  Yang, Enjie;  Du, Shikang;  Zhao, ZL(赵志立);  Yuan, YN(袁永娜)
Favorite  |    Submit date:2023/01/03
Encoding (symbols)  Forecasting  Recurrent neural networks  Bi  directional  Fusion model  Global informations  Local information  Molecular information  Molecular properties  Molecular property prediction  Performance  Property predictions  State  of  the  art methods