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Journal Articles
- 2020
[j29]Chao Shen, Zhe Wang
, Xiaojun Yao, Youyong Li, Tailong Lei, Ercheng Wang, Lei Xu, Feng Zhu, Dan Li, Tingjun Hou:
Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power. Briefings Bioinform. 21(1): 282-297 (2020)- 2019
- [j28]Zhe Wang, Xuwen Wang, Youyong Li, Tailong Lei, Ercheng Wang, Dan Li, Yu Kang, Feng Zhu, Tingjun Hou:
farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods. Bioinform. 35(10): 1777-1779 (2019) - [j27]Ye Jin, Mojie Duan, Xuwen Wang, Xiaotian Kong, Wenfang Zhou, Huiyong Sun, Hui Liu, Dan Li, Huidong Yu, Youyong Li, Tingjun Hou:
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations. J. Chem. Inf. Model. 59(2): 842-857 (2019) - 2017
- [j26]Sheng Tian, Xu Wang, Linlang Li, Xiaohu Zhang, Youyong Li, Feng Zhu, Tingjun Hou, Xuechu Zhen:
Discovery of Novel and Selective Adenosine A2A Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-Based Virtual Screening. J. Chem. Inf. Model. 57(6): 1474-1487 (2017) - [j25]Huiyong Sun, Youyong Li, Mingyun Shen, Dan Li, Yu Kang, Tingjun Hou:
Characterizing Drug-Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches. J. Chem. Inf. Model. 57(8): 1895-1906 (2017) - 2016
- [j24]Tailong Lei, Youyong Li, Yunlong Song, Dan Li, Huiyong Sun, Tingjun Hou:
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling. J. Cheminformatics 8(1): 6:1-6:19 (2016) - 2015
- [j23]Yu Zhang, Lei Xu, Zhiqiang Zhang, Zhiyu Zhang, Longtai Zheng, Dan Li, Youyong Li, Feng Liu, Kunqian Yu, Tingjun Hou, Xuechu Zhen:
Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors. J. Chem. Inf. Model. 55(9): 1994-2004 (2015) - [j22]Peichen Pan, Sheng Tian, Huiyong Sun, Xiaotian Kong, Wenfang Zhou, Dan Li, Youyong Li, Tingjun Hou:
Identification and Preliminary SAR Analysis of Novel Type-I Inhibitors of TIE-2 via Structure-Based Virtual Screening and Biological Evaluation in in vitro Models. J. Chem. Inf. Model. 55(12): 2693-2704 (2015) - 2014
- [j21]Qian Zhang, Wei Zhang, Youyong Li, Junmei Wang, Jian Zhang, Tingjun Hou:
MORT: a powerful foundational library for computational biology and CADD. J. Cheminformatics 6(1): 36 (2014) - [j20]Sheng Tian, Huiyong Sun, Peichen Pan, Dan Li, Xuechu Zhen, Youyong Li, Tingjun Hou:
Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility. J. Chem. Inf. Model. 54(10): 2664-2679 (2014) - [j19]Huiyong Sun, Youyong Li, Sheng Tian, Junmei Wang, Tingjun Hou:
P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape. PLoS Comput. Biol. 10(7) (2014) - 2013
- [j18]Sheng Tian, Youyong Li, Junmei Wang, Xiaojie Xu, Lei Xu, Xiaohong Wang, Lei Chen, Tingjun Hou:
Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines. J. Cheminformatics 5: 5 (2013) - [j17]Shunye Zhou, Youyong Li, Tingjun Hou:
Feasibility of Using Molecular Docking-Based Virtual Screening for Searching Dual Target Kinase Inhibitors. J. Chem. Inf. Model. 53(4): 982-996 (2013) - [j16]Peichen Pan, Youyong Li, Huidong Yu, Huiyong Sun, Tingjun Hou:
Molecular Principle of Topotecan Resistance by Topoisomerase I Mutations through Molecular Modeling Approaches. J. Chem. Inf. Model. 53(4): 997-1006 (2013) - [j15]Sheng Tian, Youyong Li, Dan Li, Xiaojie Xu, Junmei Wang, Qian Zhang, Tingjun Hou:
Modeling Compound-Target Interaction Network of Traditional Chinese Medicines for Type II Diabetes Mellitus: Insight for Polypharmacology and Drug Design. J. Chem. Inf. Model. 53(7): 1787-1803 (2013) - [j14]Qian Zhang, Junmei Wang, Ginés D. Guerrero, José M. Cecilia, José M. García, Youyong Li, Horacio Emilio Pérez Sánchez, Tingjun Hou:
Accelerated Conformational Entropy Calculations Using Graphic Processing Units. J. Chem. Inf. Model. 53(8): 2057-2064 (2013) - [j13]Huiyong Sun, Youyong Li, Dan Li, Tingjun Hou:
Insight into Crizotinib Resistance Mechanisms Caused by Three Mutations in ALK Tyrosine Kinase using Free Energy Calculation Approaches. J. Chem. Inf. Model. 53(9): 2376-2389 (2013) - [j12]Sheng Tian, Huiyong Sun, Youyong Li, Peichen Pan, Dan Li, Tingjun Hou:
Development and Evaluation of an Integrated Virtual Screening Strategy by Combining Molecular Docking and Pharmacophore Searching Based on Multiple Protein Structures. J. Chem. Inf. Model. 53(10): 2743-2756 (2013) - 2012
- [j11]Qian Zhang, Wei Zhang, Youyong Li, Junmei Wang, Liling Zhang, Tingjun Hou:
A rule-based algorithm for automatic bond type perception. J. Cheminformatics 4: 26 (2012) - [j10]Mingyun Shen, Sheng Tian, Youyong Li, Qian Li, Xiaojie Xu, Junmei Wang, Tingjun Hou:
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. J. Cheminformatics 4: 31 (2012) - [j9]Zhiwei Feng, Tingjun Hou, Youyong Li:
Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations. J. Chem. Inf. Model. 52(4): 1005-1014 (2012) - [j8]Dongyue Cao, Junmei Wang, Rui Zhou, Youyong Li, Huidong Yu, Tingjun Hou:
ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs. J. Chem. Inf. Model. 52(5): 1132-1137 (2012) - [j7]Zhiwei Feng, Tingjun Hou, Youyong Li:
Concerted Movement in pH-Dependent Gating of FocA from Molecular Dynamics Simulations. J. Chem. Inf. Model. 52(8): 2119-2131 (2012) - [j6]Lin Li, Youyong Li, Liling Zhang, Tingjun Hou:
Theoretical Studies on the Susceptibility of Oseltamivir against Variants of 2009 A/H1N1 Influenza Neuraminidase. J. Chem. Inf. Model. 52(10): 2715-2729 (2012) - 2011
- [j5]Tingjun Hou, Youyong Li, Wei Wang:
Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy. Bioinform. 27(13): 1814-1821 (2011) - [j4]Tingjun Hou, Junmei Wang, Youyong Li, Wei Wang:
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. J. Comput. Chem. 32(5): 866-877 (2011) - [j3]Tingjun Hou, Junmei Wang, Youyong Li, Wei Wang:
Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations. J. Chem. Inf. Model. 51(1): 69-82 (2011) - [j2]Soo-Kyung Kim, Youyong Li, Ravinder Abrol, Jiyoung Heo, William A. Goddard III:
Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors. J. Chem. Inf. Model. 51(2): 420-433 (2011) - 2007
- [j1]Tingjun Hou, Junmei Wang, Youyong Li:
ADME Evaluation in Drug Discovery, 8. The Prediction of Human Intestinal Absorption by a Support Vector Machine. J. Chem. Inf. Model. 47(6): 2408-2415 (2007)
Conference and Workshop Papers
- 2008
- [c1]Youyong Li, William A. Goddard III:
Prediction of the Structure of G-Protein Coupled Receptors and of Bound Ligands with Applications for Drug Design. Pacific Symposium on Biocomputing 2008: 344-353
Coauthor Index
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