Resultados de búsqueda - Li, Youyong

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  1. 1
    Responsive Guest Encapsulation of Dynamic Conjugated Microporous Polymers

    Responsive Guest Encapsulation of Dynamic Conjugated Microporous Polymers por Xu, Lai, Li, Youyong

    Publicado 2016
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  2. 2
    Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy

    Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy por Hou, Tingjun, Li, Youyong, Wang, Wei

    Publicado 2011
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  3. 3
    Assessing the performance of the MM/PBSA and MM/GBSA methods: I. The accuracy of binding free energy calculations based on molecular dynamics simulations

    Assessing the performance of the MM/PBSA and MM/GBSA methods: I. The accuracy of binding free energy calculations based on molecular dynamics simulations por Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei

    Publicado 2010
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  4. 4
    Assessing the performance of the MM/PBSA and MM/GBSA methods: II. The accuracy of ranking poses generated from docking

    Assessing the performance of the MM/PBSA and MM/GBSA methods: II. The accuracy of ranking poses generated from docking por Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei

    Publicado 2010
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  5. 5
    Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models

    Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models por Hou, Tingjun, Li, Nan, Li, Youyong, Wang, Wei

    Publicado 2012
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  6. 6
    Theoretical Design of Dithienopicenocarbazole-Based Molecules by Molecular Engineering of Terminal Units Toward Promising Non-fullerene Acceptors

    Theoretical Design of Dithienopicenocarbazole-Based Molecules by Molecular Engineering of Terminal Units Toward Promising Non-fullerene Acceptors por Feng, Jie, Wang, Hongshuai, Rujisamphan, Nopporn, Li, Youyong

    Publicado 2020
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  7. 7
    New Ti-decorated B(40) fullerene as a promising hydrogen storage material

    New Ti-decorated B(40) fullerene as a promising hydrogen storage material por Dong, Huilong, Hou, Tingjun, Lee, Shuit-Tong, Li, Youyong

    Publicado 2015
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  8. 8
    P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape

    P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape por Sun, Huiyong, Li, Youyong, Tian, Sheng, Wang, Junmei, Hou, Tingjun

    Publicado 2014
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  9. 9
    The Selective Interaction between Silica Nanoparticles and Enzymes from Molecular Dynamics Simulations

    The Selective Interaction between Silica Nanoparticles and Enzymes from Molecular Dynamics Simulations por Sun, Xiaotian, Feng, Zhiwei, Zhang, Liling, Hou, Tingjun, Li, Youyong

    Publicado 2014
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  10. 10
    Design of Boron Doped C(2)N-C(3)N Coplanar Conjugated Heterostructure for Efficient HER Electrocatalysis

    Design of Boron Doped C(2)N-C(3)N Coplanar Conjugated Heterostructure for Efficient HER Electrocatalysis por Xu, Weiwei, Chen, Chongyang, Tang, Chao, Li, Youyong, Xu, Lai

    Publicado 2018
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  11. 11
    Origin of the catalytic activity of phosphorus doped MoS(2) for oxygen reduction reaction (ORR) in alkaline solution: a theoretical study

    Origin of the catalytic activity of phosphorus doped MoS(2) for oxygen reduction reaction (ORR) in alkaline solution: a theoretical study por Liu, Cheng, Dong, Huilong, Ji, Yujin, Hou, Tingjun, Li, Youyong

    Publicado 2018
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  12. 12
    Fullerene derivatives act as inhibitors of leukocyte common antigen based on molecular dynamics simulations

    Fullerene derivatives act as inhibitors of leukocyte common antigen based on molecular dynamics simulations por Yu, Yi, Sun, Huiyong, Hou, Tingjun, Wang, Suidong, Li, Youyong

    Publicado 2018
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  13. 13
    Predicted structures and dynamics for agonists and antagonists bound to serotonin 5-HT2B and 5-HT2C receptors

    Predicted structures and dynamics for agonists and antagonists bound to serotonin 5-HT2B and 5-HT2C receptors por Kim, Soo-Kyung, Li, Youyong, Abrol, Ravinder, Heo, Jiyoung, Goddard, William A.

    Publicado 2011
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  14. 14
    Prediction of the 3D structure for the rat urotensin II receptor and comparison of the antagonist binding sites and binding selectivity between human and rat from atomistic simulations

    Prediction of the 3D structure for the rat urotensin II receptor and comparison of the antagonist binding sites and binding selectivity between human and rat from atomistic simulat... por Kim, Soo-Kyung, Li, Youyong, Park, Changmoon, Abrol, Ravinder, Goddard, William A.

    Publicado 2010
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  15. 15
    A rule-based algorithm for automatic bond type perception

    A rule-based algorithm for automatic bond type perception por Zhang, Qian, Zhang, Wei, Li, Youyong, Wang, Junmei, Zhang, Liling, Hou, Tingjun

    Publicado 2012
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  16. 16
    MORT: a powerful foundational library for computational biology and CADD

    MORT: a powerful foundational library for computational biology and CADD por Zhang, Qian, Zhang, Wei, Li, Youyong, Wang, Junmei, Zhang, Jian, Hou, Tingjun

    Publicado 2014
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  17. 17
    ADMET Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage

    ADMET Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage por Wang, Sichao, Li, Youyong, Wang, Junmei, Chen, Lei, Zhang, Liling, Yu, Huidong, Hou, Tingjun

    Publicado 2012
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  18. 18
    Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines

    Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese me... por Shen, Mingyun, Tian, Sheng, Li, Youyong, Li, Qian, Xu, Xiaojie, Wang, Junmei, Hou, Tingjun

    Publicado 2012
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  19. 19
    Platelet Aggregation Pathway Network-Based Approach for Evaluating Compounds Efficacy

    Platelet Aggregation Pathway Network-Based Approach for Evaluating Compounds Efficacy por Gu, Jiangyong, Li, Qian, Chen, Lirong, Li, Youyong, Hou, Tingjun, Yuan, Gu, Xu, Xiaojie

    Publicado 2013
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  20. 20
    Surface-modulated palladium-nickel icosahedra as high-performance non-platinum oxygen reduction electrocatalysts

    Surface-modulated palladium-nickel icosahedra as high-performance non-platinum oxygen reduction electrocatalysts por Feng, Yonggang, Shao, Qi, Ji, Yujin, Cui, Xiaoneng, Li, Youyong, Zhu, Xing, Huang, Xiaoqing

    Publicado 2018
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