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TarFisDock specifications


Unique identifier OMICS_04111
Name TarFisDock
Interface Web user interface
Restrictions to use None
Input data The small molecule to be tested.
Input format mol2
Computer skills Basic
Stability No
Registration required Yes
Maintained No



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Publication for TarFisDock

TarFisDock citations


Docking based inverse virtual screening: methods, applications, and challenges

Biophysics Rep
PMCID: 5860130
PMID: 29577065
DOI: 10.1007/s41048-017-0045-8

[…] bsets according to two criteria: therapeutic areas and biochemical criteria. These subsets could be very effective for studies on a special topic. The database was implemented in an online web server TarFisDock (Li et al. ), which will be introduced later in this review.Drug adverse reaction database (DART) (Ji et al. ) focuses on known and potential targets corresponding to the adverse effects of […]


PTS: a pharmaceutical target seeker

PMCID: 5750839
DOI: 10.1093/database/bax095

[…] costs and improve the performance of the experimental approaches for drug target fishing.A drug target prediction method can be categorized into structure-based or ligand-based method. INDOCK () and TarFisDock () are typical structure-based target fishing tools using molecular docking algorithms, which rely on the target structure availability and the structure diversity of the binding pocket. Ho […]


Predicting the Reliability of Drug target Interaction Predictions with Maximum Coverage of Target Space

Sci Rep
PMCID: 5476590
PMID: 28630414
DOI: 10.1038/s41598-017-04264-w

[…] od adopts a particular model type: supervised learning (e.g. Naïve Bayes Classifier, , TAMOSIC, Kernel Classifiers), unsupervised learning (e.g. SEA, SuperPred, ChemProt-2.0) or structure-based (e.g. TarFisDock, INVDOCK, PharmMapper). On the other hand, ligand-centric methods are based on calculating the similarity of a very large number of target-annotated molecules to the query molecule. This no […]


The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing

PLoS One
PMCID: 5308821
PMID: 28196116
DOI: 10.1371/journal.pone.0171433

[…] DOCK to identify therapeutic targets of medicinal herbal ingredients as well as synthetic chemicals and the majority of identified therapeutic targets have been confirmed[]. In 2012, Eric et al. used Tarfisdock to conduct reverse docking against a pool of protein targets and identified the potential targets to rationalize the cytotoxic effects of aryl-aminopyridines and their derivatives[]. These […]


Discovery of the molecular mechanisms of the novel chalcone based Magnaporthe oryzae inhibitor C1 using transcriptomic profiling and co expression network analysis

PMCID: 5075332
PMID: 27818889
DOI: 10.1186/s40064-016-3385-9

[…] rver-based approaches (Fig. a). Following assessment for drug-ability using the Potential Drug Target Database (PDTD) (Liu et al. ), 185 proteins were predicted to be potential therapeutic targets by Tarfisdock. There were 190 and 206 potential targets predicted by DARA-CPI and PharmMapper, respectively. Among the 73 common targets, four proteins were reported to be involved in fungi’s biological […]


How Reliable Are Ligand Centric Methods for Target Fishing?

PMCID: 4830838
PMID: 27148522
DOI: 10.3389/fchem.2016.00015

[…] methods can interrogate any target that has at least one known ligand, target-centric models can only evaluate the typically much smaller set of targets for which a model can be built. For instance, TarFisDock (Gao et al., ) predictions are limited to 1100 targets with available crystal structure and known binding site, whereas SEA (Keiser et al., , ) only evaluates targets with at least five kno […]


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TarFisDock institution(s)
Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China; Department of Engineering Mechanics, State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian, China; School of Pharmacy, East China University of Science and Technology, Shanghai, China
TarFisDock funding source(s)
Supported by the Special Fund for the Major State Basic Research Project of China (grants 2002CB512802 and 2002CB512807) from Ministry of Science and Technology of China and the National Natural Science Foundation of China (grant 10572033).

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