Published in J Mol Graph Model on January 01, 2001
TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res (2006) 2.26
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. Br J Pharmacol (2007) 1.77
Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening. J Comput Aided Mol Des (2002) 1.68
Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation. Br J Pharmacol (2006) 1.58
Computational drug discovery. Acta Pharmacol Sin (2012) 1.04
Target fishing for chemical compounds using target-ligand activity data and ranking based methods. J Chem Inf Model (2009) 1.02
Quantitative prediction of antitarget interaction profiles for chemical compounds. Chem Res Toxicol (2012) 0.94
Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applications. Evid Based Complement Alternat Med (2013) 0.80
Accelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer. Concurr Comput (2014) 0.77
Genome-wide characterisation of the binding repertoire of small molecule drugs. Hum Genomics (2003) 0.77
A comparative reverse docking strategy to identify potential antineoplastic targets of tea functional components and binding mode. Int J Mol Sci (2011) 0.77
Building a virtual ligand screening pipeline using free software: a survey. Brief Bioinform (2015) 0.77
Virtual target screening: validation using kinase inhibitors. J Chem Inf Model (2012) 0.76
In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics. BMC Complement Altern Med (2015) 0.76
In Silico Insight into Potential Anti-Alzheimer's Disease Mechanisms of Icariin. Int J Mol Sci (2016) 0.76
The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing. PLoS One (2017) 0.75
Identification of Toxic Pyrrolizidine Alkaloids and Their Common Hepatotoxicity Mechanism. Int J Mol Sci (2016) 0.75
Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction. PLoS One (2013) 0.75
Using reverse docking to identify potential targets for ginsenosides. J Ginseng Res (2016) 0.75
Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation. Br J Pharmacol (2006) 1.58
Classification of a diverse set of Tetrahymena pyriformis toxicity chemical compounds from molecular descriptors by statistical learning methods. Chem Res Toxicol (2006) 0.93
Machine learning approaches for predicting compounds that interact with therapeutic and ADMET related proteins. J Pharm Sci (2007) 0.86
Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods. Mini Rev Med Chem (2006) 0.83
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. J Mol Graph Model (2006) 0.81
Computer automated prediction of potential therapeutic and toxicity protein targets of bioactive compounds from Chinese medicinal plants. Am J Chin Med (2002) 0.81
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chem Res Toxicol (2005) 0.79
Computer prediction of cardiovascular and hematological agents by statistical learning methods. Cardiovasc Hematol Agents Med Chem (2007) 0.75