Induced Fit statistics

info info

Citations per year


Popular tool citations

chevron_left Ligand-based virtual screening Protein-ligand docking chevron_right

Tool usage distribution map

Tool usage distribution map
info info

Associated diseases

Associated diseases
Want to access the full stats & trends on this tool?

Induced Fit specifications


Unique identifier OMICS_18938
Name Induced Fit
Alternative name Induced Fit Docking (IFD)
Software type Application/Script
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Medium
Stability Stable
Maintained Yes


No version available


  • person_outline Ramy Farid

Additional information

A registration is needed to access to tools. A free trial is available on the site.

Publication for Induced Fit

Induced Fit citations


Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes

PMCID: 5817085
PMID: 29492402
DOI: 10.3389/fchem.2018.00023

[…] compounds were selected following virtual screening based on docking score range (−13.041 to −8.0)., the top 20 compounds screened through virtual screening were validated through blind docking, induced fit docking, and pharmacophore generation. the validated compounds were then used for further studies., blind docking using sp and xp was done without specifying the active site residues. […]


Discovery of new molecular entities able to strongly interfere with Hsp90 C terminal domain

Sci Rep
PMCID: 5786060
PMID: 29374167
DOI: 10.1038/s41598-017-14902-y

[…] during the simulation, 7 and 10 are located at the interface of the two chains of the c terminal domain, maintaining a good number of interactions (fig. ) with the amino acids singled out in the induced fit docking results analysis (see above). from the analysis of the protein-ligand (p-l) contacts (fig. ), in addition to further interactions of 7 with hsp90 (namely with leu676, glu624, […]


Combined Virtual and Experimental Screening for CK1 Inhibitors Identifies a Modulator of p53 and Reveals Important Aspects of in Silico Screening Performance

Int J Mol Sci
PMCID: 5666784
PMID: 28984824
DOI: 10.3390/ijms18102102

[…] as one of the most efficient virtual screening tools and, notably, it supports parameterization to a satisfactory extent by including adjustment of factors such as docking accuracy and simulation of induced-fit effects. on the other hand, in the absence of a suitable docking template the alternative ligand-based approach is usually pursued. the high-performance rapid overlay of chemical […]


Early onset epileptic encephalopathy caused by a reduced sensitivity of Kv7.2 potassium channels to phosphatidylinositol 4,5 bisphosphate

Sci Rep
PMCID: 5131271
PMID: 27905566
DOI: 10.1038/srep38167

[…] was finally submitted to a restrained minimization (opls2005 force field) that was stopped when the root-mean-square deviation (rmsd) of heavy atoms reached 0.30 å. docking studies. the schrodinger induced fit docking extended sampling protocol was used for docking studies of pip2 on the optimized kv7.2 configuration. the docking space, centered on the pip2 molecule, was defined as a 32 å3 […]


Virtual Screening Approaches towards the Discovery of Toll Like Receptor Modulators

Int J Mol Sci
PMCID: 5037785
PMID: 27618029
DOI: 10.3390/ijms17091508

[…] to the residues, and the ligands with more interactions conserved throughout most of the poses were selected. binding free energy calculations were performed on the top two poses generated during induced-fit docking of each compound. these complexes between the tram tir homology model and each ligand were ranked according to this analysis and a final structural analysis of the ligand/receptor […]


Identification of Ecdysone Hormone Receptor Agonists as a Therapeutic Approach for Treating Filarial Infections

PLoS Negl Trop Dis
PMCID: 4907521
PMID: 27300294
DOI: 10.1371/journal.pntd.0004772

[…] xp docking, and again (3) those structures with glide xp docking scores of less than -7.25 kcal/mol were docked into the ecr lbd with a flexible ligand-flexible receptor docking method known as induced fit docking (ifd) [,], which allows for better binding mode prediction, albeit at a higher computational cost [–]., four of the compounds identified by the virtual screen (am580, bms493, […]

Want to access the full list of citations?
Induced Fit institution(s)
Schrodinger, Inc., New York, NY, USA

Induced Fit reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review Induced Fit