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Protocols

FlexAID specifications

Information


Unique identifier OMICS_09554
Name FlexAID
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Computer skills Medium
Stability Stable
Maintained No

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This tool is not available anymore.

Publication for FlexAID

FlexAID citations

 (2)
library_books

Large scale detection of drug off targets: hypotheses for drug repurposing and understanding side effects

2017
PMCID: 5408384
PMID: 28449705
DOI: 10.1186/s40360-017-0128-7

[…] sition of the structures and the detected IsoMIF similarities between a binding-site of acetazolamide (1RJ6_AZM400A-) and 1TT8_6. The figure also shows the ligand poses predicted by IsoMIF (cyan) and FlexAID docking (salmon) with an RMSD of 1.62 Å. Interestingly, despite different CATH structural folds (3.40.1410.10 for 1TT8 and 3.10.200.10 for 1RJ6), many corresponding residues on each structure […]

call_split

STARD6 on steroids: solution structure, multiple timescale backbone dynamics and ligand binding mechanism

2016
Sci Rep
PMCID: 4919784
PMID: 27340016
DOI: 10.1038/srep28486
call_split See protocol

[…] tions. The testosterone molecule and parameters were obtained on the Automated Topology Builder repository (Molecule ID 9924). The testosterone molecule was docked in the binding site of STARD6 using FlexAID as described in Letourneau et al.. Equilibration of the system under conditions of constant number of molecules, volume and temperature (NVT) was performed for 10 ps to reach the desired tempe […]


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FlexAID institution(s)
Department of Biochemistry, Faculty of Medicine and Health Sciences, University of Sherbrooke, Sherbrooke, Quebec, Canada

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