Hualiang Jiang

According to our database1, Hualiang Jiang authored at least 43 papers between 1998 and 2016.

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Bibliography

2016
Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening.
Journal of Chemical Information and Modeling, 2016

Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays.
Journal of Chemical Information and Modeling, 2016

2015
Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level.
PLoS Computational Biology, 2015

Molecular Mechanism underlying PRMT1 Dimerization for SAM Binding and Methylase Activity.
Journal of Chemical Information and Modeling, 2015

An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy.
Journal of Chemical Information and Modeling, 2015

TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds.
Bioinformatics, 2015

2014
iDrug: a web-accessible and interactive drug discovery and design platform.
J. Cheminformatics, 2014

Estimation of acute oral toxicity in rat using local lazy learning.
J. Cheminformatics, 2014

In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion.
J. Cheminformatics, 2014

In silico site of metabolism prediction for human UGT-catalyzed reactions.
Bioinformatics, 2014

2013
Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening.
Journal of Chemical Information and Modeling, 2013

Discovery of Novel Acetohydroxyacid Synthase Inhibitors as Active Agents against Mycobacterium tuberculosis by Virtual Screening and Bioassay.
Journal of Chemical Information and Modeling, 2013

Water PMF for predicting the properties of water molecules in protein binding site.
Journal of Computational Chemistry, 2013

A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1.
Journal of Computer-Aided Molecular Design, 2013

ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method.
Bioinformatics, 2013

2012
Estimation of Carcinogenicity Using Molecular Fragments Tree.
Journal of Chemical Information and Modeling, 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.
Journal of Chemical Information and Modeling, 2011

Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation.
Journal of Chemical Information and Modeling, 2011

Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched?
Journal of Chemical Information and Modeling, 2011

SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening.
Journal of Chemical Information and Modeling, 2011

Fragment-based prediction of skin sensitization using recursive partitioning.
Journal of Computer-Aided Molecular Design, 2011

2010
PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach.
Nucleic Acids Research, 2010

Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions.
Journal of Chemical Information and Modeling, 2010

Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity.
Journal of Chemical Information and Modeling, 2010

BSSF: a fingerprint based ultrafast binding site similarity search and function analysis server.
BMC Bioinformatics, 2010

Bioactive Conformational Generation of Small Molecules: A Comparative Analysis between Force-Field and Multiple Empirical Criteria Based Methods.
BMC Bioinformatics, 2010

2009
Optimizing Energy Potential for Protein Fold Recognition with Parametric Evaluation Function.
Journal of Computational Biology, 2009

An improved adaptive genetic algorithm for protein-ligand docking.
Journal of Computer-Aided Molecular Design, 2009

Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation.
BMC Bioinformatics, 2009

An effective docking strategy for virtual screening based on multi-objective optimization algorithm.
BMC Bioinformatics, 2009

Site of metabolism prediction for six biotransformations mediated by cytochromes P450.
Bioinformatics, 2009

2008
Mechanics of Channel Gating of the Nicotinic Acetylcholine Receptor.
PLoS Computational Biology, 2008

An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA.
Journal of Chemical Information and Modeling, 2008

PDTD: a web-accessible protein database for drug target identification.
BMC Bioinformatics, 2008

DrugViz: a Cytoscape plugin for visualizing and analyzing small molecule drugs in biological networks.
Bioinformatics, 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.
Computational Biology and Chemistry, 2007

2006
TarFisDock: a web server for identifying drug targets with docking approach.
Nucleic Acids Research, 2006

QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.
Journal of Computer-Aided Molecular Design, 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.
Journal of Computer-Aided Molecular Design, 2006

Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine.
Bioinformatics, 2006

2005
A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database.
Journal of Chemical Information and Modeling, 2005

1998
A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property.
Journal of Chemical Information and Computer Sciences, 1998


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