Youyong Li

Publication Activity (10 Years)

Years Active: 2007-2020
Publications (10 Years): 6

Top Topics

Protein Structure

Diabetes Mellitus

Virtual Screening

Molecular Dynamics Simulations

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Briefings Bioinform.

Publications

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) (2020)
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) (2019)
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) (2019)
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) (2017)
Sheng Tian, Xu Wang, Linlang Li, Xiaohu Zhang, Youyong Li, Feng Zhu, Tingjun Hou, Xuechu Zhen
Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-Based Virtual Screening. J. Chem. Inf. Model. 57 (6) (2017)
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) (2016)
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) (2015)
Yu Zhang, Lei Xu, Zhiqiang Zhang, Zhiyu Zhang, Longtai Zheng, Dan Li, Youyong Li, Feng Liu, Kunqian Yu, Tingjun Hou, Xuechu Zhen
-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors. J. Chem. Inf. Model. 55 (9) (2015)
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) (2014)
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)
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) (2014)
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) (2013)
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) (2013)
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 (2013)
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) (2013)
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) (2013)
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) (2013)
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) (2013)
Zhiwei Feng, Tingjun Hou, Youyong Li
Concerted Movement in pH-Dependent Gating of FocA from Molecular Dynamics Simulations. J. Chem. Inf. Model. 52 (8) (2012)
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 (2012)
Zhiwei Feng, Tingjun Hou, Youyong Li
Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations. J. Chem. Inf. Model. 52 (4) (2012)
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) (2012)
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) (2012)
Qian Zhang, Wei Zhang, Youyong Li, Junmei Wang, Liling Zhang, Tingjun Hou
A rule-based algorithm for automatic bond type perception. J. Cheminformatics 4 (2012)
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) (2011)
Tingjun Hou, Youyong Li, Wei Wang
Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy. Bioinform. 27 (13) (2011)
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) (2011)
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) (2011)
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)
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) (2007)