Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei
Published in Journal of chemical information and modeling (24.01.2011)
Published in Journal of chemical information and modeling (24.01.2011)
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Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set
Sun, Huiyong, Li, Youyong, Tian, Sheng, Xu, Lei, Hou, Tingjun
Published in Physical chemistry chemical physics : PCCP (21.08.2014)
Published in Physical chemistry chemical physics : PCCP (21.08.2014)
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Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking
Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei
Published in Journal of computational chemistry (15.04.2011)
Published in Journal of computational chemistry (15.04.2011)
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Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking
Chen, Fu, Liu, Hui, Sun, Huiyong, Pan, Peichen, Li, Youyong, Li, Dan, Hou, Tingjun
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Porous Ni5P4 as a promising cocatalyst for boosting the photocatalytic hydrogen evolution reaction performance
Liu, Xin, Zhao, Yunxuan, Yang, Xiaofei, Liu, Qinqin, Yu, Xiaohui, Li, Youyong, Tang, Hua, Zhang, Tierui
Published in Applied catalysis. B, Environmental (15.10.2020)
Published in Applied catalysis. B, Environmental (15.10.2020)
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Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power
Wang, Zhe, Sun, Huiyong, Yao, Xiaojun, Li, Dan, Xu, Lei, Li, Youyong, Tian, Sheng, Hou, Tingjun
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Two-Dimensional MnO2 as a Better Cathode Material for Lithium Ion Batteries
Deng, Shuo, Wang, Lu, Hou, Tingjun, Li, Youyong
Published in Journal of physical chemistry. C (31.12.2015)
Published in Journal of physical chemistry. C (31.12.2015)
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Polyamide nanofiltration membrane with highly uniform sub-nanometre pores for sub-1 Å precision separation
Liang, Yuanzhe, Zhu, Yuzhang, Liu, Cheng, Lee, Kueir-Rarn, Hung, Wei-Song, Wang, Zhenyi, Li, Youyong, Elimelech, Menachem, Jin, Jian, Lin, Shihong
Published in Nature communications (24.04.2020)
Published in Nature communications (24.04.2020)
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g‐C3N4 Loading Black Phosphorus Quantum Dot for Efficient and Stable Photocatalytic H2 Generation under Visible Light
Kong, Lingqiao, Ji, Yujin, Dang, Zhenzhen, Yan, Junqing, Li, Ping, Li, Youyong, Liu, Shengzhong (Frank)
Published in Advanced functional materials (30.05.2018)
Published in Advanced functional materials (30.05.2018)
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Fully Tensile Strained Pd3Pb/Pd Tetragonal Nanosheets Enhance Oxygen Reduction Catalysis
Tang, Chongyang, Zhang, Nan, Ji, Yujin, Shao, Qi, Li, Youyong, Xiao, Xiangheng, Huang, Xiaoqing
Published in Nano letters (13.02.2019)
Published in Nano letters (13.02.2019)
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Single atom tungsten doped ultrathin α-Ni(OH)2 for enhanced electrocatalytic water oxidation
Yan, Junqing, Kong, Lingqiao, Ji, Yujin, White, Jai, Li, Youyong, Zhang, Jing, An, Pengfei, Liu, Shengzhong, Lee, Shuit-Tong, Ma, Tianyi
Published in Nature communications (14.05.2019)
Published in Nature communications (14.05.2019)
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Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK)
Kong, Xiaotian, Pan, Peichen, Sun, Huiyong, Xia, Hongguang, Wang, Xuwen, Li, Youyong, Hou, Tingjun
Published in Journal of medicinal chemistry (26.12.2019)
Published in Journal of medicinal chemistry (26.12.2019)
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Unveiling the origin of boosted photocatalytic hydrogen evolution in simultaneously (S, P, O)-Codoped and exfoliated ultrathin g-C3N4 nanosheets
Liu, Qinqin, Shen, Jiyou, Yu, Xiaohui, Yang, Xiaofei, Liu, Wei, Yang, Juan, Tang, Hua, Xu, Hui, Li, Huaming, Li, Youyong, Xu, Jingsan
Published in Applied catalysis. B, Environmental (05.07.2019)
Published in Applied catalysis. B, Environmental (05.07.2019)
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Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models
Hou, Tingjun, Li, Nan, Li, Youyong, Wang, Wei
Published in Journal of proteome research (04.05.2012)
Published in Journal of proteome research (04.05.2012)
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Transition metal-doped ultrathin RuO2 networked nanowires for efficient overall water splitting across a broad pH range
Wang, Juan, Ji, Yujin, Yin, Rongguan, Li, Youyong, Shao, Qi, Huang, Xiaoqing
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2019)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2019)
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A rhodium/silicon co-electrocatalyst design concept to surpass platinum hydrogen evolution activity at high overpotentials
Zhu, Lili, Lin, Haiping, Li, Youyong, Liao, Fan, Lifshitz, Yeshayahu, Sheng, Minqi, Lee, Shuit-Tong, Shao, Mingwang
Published in Nature communications (22.07.2016)
Published in Nature communications (22.07.2016)
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Pyridinic-N-Dominated Doped Defective Graphene as a Superior Oxygen Electrocatalyst for Ultrahigh-Energy-Density Zn–Air Batteries
Wang, Qichen, Ji, Yujin, Lei, Yongpeng, Wang, Yaobing, Wang, Yingde, Li, Youyong, Wang, Shuangyin
Published in ACS energy letters (11.05.2018)
Published in ACS energy letters (11.05.2018)
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Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring
Sun, Huiyong, Li, Youyong, Shen, Mingyun, Tian, Sheng, Xu, Lei, Pan, Peichen, Guan, Yan, Hou, Tingjun
Published in Physical chemistry chemical physics : PCCP (28.10.2014)
Published in Physical chemistry chemical physics : PCCP (28.10.2014)
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