Youyong Li
Orcid: 0000-0002-5248-2756
According to our database1,
Youyong Li
authored at least 30 papers
between 2007 and 2020.
Collaborative distances:
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Bibliography
2020
Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power.
Briefings Bioinform., 2020
2019
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2019
farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods.
Bioinform., 2019
2017
Characterizing Drug-Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches.
J. Chem. Inf. Model., August, 2017
Discovery of Novel and Selective Adenosine A<sub>2A</sub> Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-Based Virtual Screening.
J. Chem. Inf. Model., June, 2017
2016
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling.
J. Cheminformatics, 2016
2015
Structure-Activity Relationships and Anti-inflammatory Activities of <i>N</i>-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors.
J. Chem. Inf. Model., 2015
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., 2015
2014
P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape.
PLoS Comput. Biol., 2014
Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility.
J. Chem. Inf. Model., 2014
J. Cheminformatics, 2014
2013
Feasibility of Using Molecular Docking-Based Virtual Screening for Searching Dual Target Kinase Inhibitors.
J. Chem. Inf. Model., 2013
J. Chem. Inf. Model., 2013
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., 2013
Modeling Compound-Target Interaction Network of Traditional Chinese Medicines for Type II Diabetes Mellitus: Insight for Polypharmacology and Drug Design.
J. Chem. Inf. Model., 2013
Insight into Crizotinib Resistance Mechanisms Caused by Three Mutations in ALK Tyrosine Kinase using Free Energy Calculation Approaches.
J. Chem. Inf. Model., 2013
Molecular Principle of Topotecan Resistance by Topoisomerase I Mutations through Molecular Modeling Approaches.
J. Chem. Inf. Model., 2013
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, 2013
2012
Theoretical Studies on the Susceptibility of Oseltamivir against Variants of 2009 A/H1N1 Influenza Neuraminidase.
J. Chem. Inf. Model., 2012
Concerted Movement in pH-Dependent Gating of FocA from Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2012
Studies on the Interactions between β<sub>2</sub> Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2012
ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs.
J. Chem. Inf. Model., 2012
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, 2012
2011
Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors.
J. Chem. Inf. Model., 2011
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., 2011
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., 2011
Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy.
Bioinform., 2011
2008
Prediction of the Structure of G-Protein Coupled Receptors and of Bound Ligands with Applications for Drug Design.
Proceedings of the Biocomputing 2008, 2008
2007
ADME Evaluation in Drug Discovery, 8. The Prediction of Human Intestinal Absorption by a Support Vector Machine.
J. Chem. Inf. Model., 2007