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iGEMDOCK specifications


Unique identifier OMICS_23130
Software type Framework/Library
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Medium
Stability No
Maintained No


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Publication for iGEMDOCK

iGEMDOCK in publications

PMCID: 5879799
PMID: 29619080
DOI: 10.1186/s13068-018-1084-1

[…] protein biological functions, as it compares the designed models to different libraries of proteins with previously identified functions [, ]., the docking analysis was performed using the software igemdock v. 2.1, a generic evolutionary method for molecular docking, developed by jinn-moon yang (http://gemdock.life.nctu.edu.tw/dock/igemdock.php). it computes the interaction between one […]

PMCID: 5938540
PMID: 29743867
DOI: 10.17179/excli2017-984

[…] binding sites. the π-electron deficiency makes it a good π-acceptor (farrell, 1989[]). , computational studies were performed using computer aided softwares. molecular docking was done using igemdock version 2.0 and osiris data warrior version 4.6.1 was used to assess toxicity whereas molinspiration version 2016.03 was used to calculated bioactivity score and other physicochemical […]

PMCID: 5763307
PMID: 29322920
DOI: 10.1186/s12918-017-0506-1

[…] hydrogen bonds, salt bridges, and metal interactions. green solid lines show hydrophobic interactions and green dashed lines represent π-π and π-cation interactions., in step 2, a docking program, igemdock 2.0 [], was utilized for the computational extraction of drug binding sites. we followed the four sequential steps in igemdock to perform the drug-target interaction analysis: target […]

PMCID: 5917095
PMID: 29707673
DOI: 10.29252/cmm.3.4.6

[…] synthase, chitinase, fungalysin, and lumazine synthase were derived by homology modelling using modeller software, version 9.0. the docking of the ligand and receptor was performed using igemdock and autodockvina software. the physicochemical properties, lipophilicity, hydrophilicity, and drug likeness properties were obtained from the swiss adme online server tool., the gc-ms […]

PMCID: 5742833
PMID: 29194352
DOI: 10.3390/md15120373

[…] can be virtually docked into specific sites on piravp or pirbvp. furthermore, the binding affinities between piravp/pirbvp and compounds can be predicted using molecular docking tools, such as igemdock [] and autodock vina []. ligand-based screening is another approach that can be used to identify inhibitors []. on the assumption that similar compounds can mimic physicochemical properties […]

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iGEMDOCK institution(s)
Institute of Bioinformatics and Systems Biology, National Chiao Tung University, Hsinchu, Taiwan; Department of Biological Science and Technology, National Chiao Tung University, Hsinchu, Taiwan; Core Facility for Structural Bioinformatics, National Chiao Tung University, Hsinchu, Taiwan
iGEMDOCK funding source(s)
Supported by National Science Council and partial support of the ATU plan by MOE.

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