Combining Docking Pose Rank and Structure with Deep Learning Improves Protein–Ligand Binding Mode Prediction over a Baseline Docking Approach

Tien Huynh , Jeffrey K. Weber , Wendy D. Cornell , Joseph A. Morrone
Journal of Chemical Information and Modeling 60 ( 9) 4170 -4179

59
2020
145
2011
Molecular Docking for Identification of Potential Targets for Drug Repurposing.

Heng Luo , William Mattes , Donna L Mendrick , Huixiao Hong
Current Topics in Medicinal Chemistry 16 ( 30) 3636 -3645

13
2016
Development and Validation of Decision Forest Model for Estrogen Receptor Binding Prediction of Chemicals Using Large Data Sets

Hui Wen Ng , Stephen W. Doughty , Heng Luo , Hao Ye
Chemical Research in Toxicology 28 ( 12) 2343 -2351

25
2015
Estrogenic activity data extraction and in silico prediction show the endocrine disruption potential of bisphenol A replacement compounds.

Hui Wen Ng , Mao Shu , Heng Luo , Hao Ye
Chemical Research in Toxicology 28 ( 9) 1784 -1795

72
2015
sNebula, a network-based algorithm to predict binding between human leukocyte antigens and peptides.

Heng Luo , Hao Ye , Hui Wen Ng , Sugunadevi Sakkiah
Scientific Reports 6 ( 1) 32115 -32115

14
2016
Machine-Learning Prediction of Oral Drug-Induced Liver Injury (DILI) via Multiple Features and Endpoints.

Xiaobin Liu , Danhua Zheng , Yi Zhong , Zhaofan Xia
BioMed Research International 2020 4795140

2020
Applying network analysis and Nebula (neighbor-edges based and unbiased leverage algorithm) to ToxCast data.

Hao Ye , Heng Luo , Hui Wen Ng , Joe Meehan
Environment International 89 81 -92

4
2016
Comparison of RNA-seq and microarray-based models for clinical endpoint prediction

Wenqian Zhang , Ying Yu , Falk Hertwig , Jean Thierry-Mieg
Genome Biology 16 ( 1) 133 -133

330
2015
Molecular docking to identify associations between drugs and class I human leukocyte antigens for predicting idiosyncratic drug reactions.

Heng Luo , Tingting Du , Peng Zhou , Lun Yang
Combinatorial Chemistry & High Throughput Screening 18 ( 3) 296 -304

65
2015
Molecular Docking for Prediction and Interpretation of Adverse Drug Reactions.

Achille Fokoue-Nkoutche , Nalini Singh , Lun Yang , Jianying Hu
Combinatorial Chemistry & High Throughput Screening 21 ( 5) 314 -322

6
2018
DDI-CPI, a server that predicts drug–drug interactions through implementing the chemical–protein interactome

Heng Luo , Ping Zhang , Hui Huang , Jialiang Huang
Nucleic Acids Research 42 46 -52

73
2014
111
2011
FOLDNA, a Web Server for Self-Assembled DNA Nanostructure Autoscaffolds and Autostaples

Chensheng Zhou , Heng Luo , Xiaolu Feng , Xingwang Li
Journal of Nanotechnology 2012 453 -457

4
2012
DrugPathSeeker: Interactive UI for exploring drug-ADR relation via pathways

Janu Verma , Heng Luo , Jianying Hu , Ping Zhang
ieee pacific visualization symposium 260 -264

2
2017
Predicting adverse drug reactions through interpretable deep learning framework

Sanjoy Dey , Heng Luo , Achille Fokoue , Jianying Hu
BMC Bioinformatics 19 ( 21) 1 -13

96
2018
Homology Model and Ligand Binding Interactions of the Extracellular Domain of the Human α4β2 Nicotinic Acetylcholine Receptor

Shu Mao , Hui Wen Ng , Michael Orr , Heng Luo
Journal of Biomedical Science and Engineering 09 ( 1) 41 -100

3
2016