Hualiang Jiang
According to our database1,
Hualiang Jiang
authored at least 58 papers
between 1998 and 2023.
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Bibliography
2023
Loops Mediate Agonist-Induced Activation of the Stimulator of Interferon Genes Protein.
J. Chem. Inf. Model., December, 2023
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules.
J. Cheminformatics, December, 2023
Computing the relative binding affinity of ligands based on a pairwise binding comparison network.
Nat. Comput. Sci., 2023
2022
J. Cheminformatics, 2022
Bioinform., 2022
An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph.
Briefings Bioinform., 2022
Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2022, 2022
2021
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge.
PLoS Comput. Biol., 2021
DrugSpaceX: a large screenable and synthetically tractable database extending drug space.
Nucleic Acids Res., 2021
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling.
J. Cheminformatics, 2021
Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network.
Bioinform., 2021
Proceedings of the Neural Information Processing - 28th International Conference, 2021
2020
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments.
Bioinform., 2020
2019
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules.
Bioinform., 2019
2017
Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4.
J. Chem. Inf. Model., July, 2017
2016
Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening.
J. Chem. Inf. Model., 2016
Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays.
J. Chem. Inf. Model., 2016
2015
PLoS Comput. Biol., 2015
Molecular Mechanism underlying PRMT1 Dimerization for SAM Binding and Methylase Activity.
J. Chem. Inf. Model., 2015
An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy.
J. Chem. Inf. Model., 2015
TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds.
Bioinform., 2015
2014
J. Cheminformatics, 2014
J. Cheminformatics, 2014
In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion.
J. Cheminformatics, 2014
Bioinform., 2014
2013
Molecular Modeling of the 3D Structure of 5-HT<sub>1A</sub>R: Discovery of Novel 5-HT<sub>1A</sub>R Agonists via Dynamic Pharmacophore-Based Virtual Screening.
J. Chem. Inf. Model., 2013
Discovery of Novel Acetohydroxyacid Synthase Inhibitors as Active Agents against <i>Mycobacterium tuberculosis</i> by Virtual Screening and Bioassay.
J. Chem. Inf. Model., 2013
J. Comput. Chem., 2013
A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1.
J. Comput. Aided Mol. Des., 2013
ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method.
Bioinform., 2013
2012
J. Chem. Inf. Model., 2012
2011
Knowledge-Based Scoring Functions in Drug Design: 3. A Two-Dimensional Knowledge-Based Hydrogen-Bonding Potential for the Prediction of Protein-Ligand Interactions.
J. Chem. Inf. Model., 2011
Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation.
J. Chem. Inf. Model., 2011
Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched?
J. Chem. Inf. Model., 2011
SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening.
J. Chem. Inf. Model., 2011
J. Comput. Aided Mol. Des., 2011
2010
PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach.
Nucleic Acids Res., 2010
Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions.
J. Chem. Inf. Model., 2010
Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity.
J. Chem. Inf. Model., 2010
BSSF: a fingerprint based ultrafast binding site similarity search and function analysis server.
BMC Bioinform., 2010
Bioactive Conformational Generation of Small Molecules: A Comparative Analysis between Force-Field and Multiple Empirical Criteria Based Methods.
BMC Bioinform., 2010
2009
Optimizing Energy Potential for Protein Fold Recognition with Parametric Evaluation Function.
J. Comput. Biol., 2009
J. Comput. Aided Mol. Des., 2009
Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation.
BMC Bioinform., 2009
An effective docking strategy for virtual screening based on multi-objective optimization algorithm.
BMC Bioinform., 2009
Site of metabolism prediction for six biotransformations mediated by cytochromes P450.
Bioinform., 2009
2008
PLoS Comput. Biol., 2008
An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA.
J. Chem. Inf. Model., 2008
BMC Bioinform., 2008
DrugViz: a Cytoscape plugin for visualizing and analyzing small molecule drugs in biological networks.
Bioinform., 2008
DDGrid: A Grid Computing Environment with Massive Concurrency and Fault-Tolerance Support.
Proceedings of the Seventh International Conference on Grid and Cooperative Computing, 2008
2007
Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies.
Comput. Biol. Chem., 2007
2006
Nucleic Acids Res., 2006
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.
J. Comput. Aided Mol. Des., 2006
Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4, 1-benzoxazepinone analogues.
J. Comput. Aided Mol. Des., 2006
Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine.
Bioinform., 2006
2005
J. Chem. Inf. Model., 2005
1998
A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property.
J. Chem. Inf. Comput. Sci., 1998