ABCIS: Atelier de Bio & Chimie Informatique Structurale

 

Protein-ligand interactions

 

 

o Atome 2



@TOME V2
Bioinformatics Tools Server :
a pipeline for comparative modeling of protein-ligand complexes.

Pons JL & Labesse G.(2009) Nucleic Acids Research  ; doi : 10.1093/nar/gkp368

Additional Sponsors :

ACI-IMPBio

 

 

o CBE Database



CBE database Visualizer :
This service allows one to visualize Protein Chain/Ligand contacts in PDB file. (Ligand can be small molecule, sugar, nucleic acid or peptide).

Jean-Luc Pons & Gilles Labesse.

Additional Sponsors :

 

 

o Edmon


EDMon 1.2

EDMON v1.2 (Endocrine Disruptor MONitoring) A computational tool to study interactions between nuclear hormone receptors and endocrine-disrupting chemicals

Delfosse et al, PNAS, 2012 - Doi : 10.1073/pnas.1203574109

Additional Sponsors :
ANR BISCOT

 

 

o KinDOCK



KinDOCK
 : A Ligand Transposition Server :
This server allows comparative docking of ligands into the ATP-binding site of a protein kinase (target)

Martin L, Catherinot V, Labesse G.(2006) Nucleic Acids Research Web Server issue:34 W325-W329

Additional Sponsors :

La Ligue contre le cancer

 

 

o SimDOCK



SimDOCK
 : A Ligand Transposition Server :
This server allows rapid selection of ligands fitting the active site of the submitted protein by superposition of its three-dimensional structure with those of known complexes of protein/ligands of the family.

Martin L, Catherinot V, Labesse G.

Additional Sponsors :

La Ligue contre le cancer

 

 

o LEA3D


LEA3D
 : A Computer-Aided Ligand Design for Structure-Based Drug Design

Douguet, D, Munier-Lehmann, H, Labesse, G and Pochet, S J. Med. Chem., 48(7), 2457-68.

Additional Sponsors :

 

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