Mingyue Zheng
Orcid: 0000-0002-3323-3092
According to our database1,
Mingyue Zheng
authored at least 41 papers
between 2006 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
CoRR, 2024
2023
Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation.
J. Cheminformatics, December, 2023
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP.
J. Cheminformatics, December, 2023
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules.
J. Cheminformatics, December, 2023
Nucleic Acids Res., July, 2023
Computing the relative binding affinity of ligands based on a pairwise binding comparison network.
Nat. Comput. Sci., 2023
Enhancing Temperature Immunity of Digital Circuit Against Aging : The Standard Cell Subset Method.
Proceedings of the 15th IEEE International Conference on ASIC, 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
Popular Music Production Trend Analysis and Prediction Research.
Proceedings of the 6th International Conference on Computer-Human Interaction Research and Applications, 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
2020
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments.
Bioinform., 2020
A Realization Framework of International Image Prediction System for Film and TV Works.
Proceedings of the 13th International Congress on Image and Signal Processing, 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
TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds.
Bioinform., 2015
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
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
2012
J. Chem. Inf. Model., 2012
Unbinding Pathways of GW4064 from Human Farnesoid X Receptor As Revealed by Molecular Dynamics Simulations.
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
J. Comput. Aided Mol. Des., 2011
2010
Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions.
J. Chem. Inf. Model., 2010
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
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