@TOME 2.3 Platform |
Comparative modeling of protein-ligand complexes & Virtual Screening
@TOME (@utomatic Threading Optimization Modeling and Evaluation) is a web pipeline dedicated to protein structure modeling and small ligand docking based on comparative analyses.
@TOME allows fold recognition, template selection, structural alignment editing, structure comparisons, 3D-model building and evaluation.
In case of protein-ligand complexes modeling, the binding site is automatically predicted in the receptor and the ligand position is calculated by comparative docking or virtual screening.
In our pipeline, softwares are efficiently interconnected to accelerate and automate the modeling process. It can be used for modeling your molecule ("My Modeling" menu tab) but also in studies of large set of proteins such as protein family or genome. Some resulting models are available on this platform.
Furthermore, most receptors modeled here (nuclear receptor, protein kinases,..) can serve as targets for virtual screening. Many tools are available on this site. They allow you to dock your ligands in receptors previously modeled and evaluate the resulting complexes.