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Protein-Ligand Interactions

LogoNameDescriptionAuthorsAdditional sponsors
@TOME V2 Bioinformatics Tools Server: pipeline for comparative modeling of protein-ligand complexes Pons JL and Labesse G, NAR (2009); doi : 10.1093/nar/gkp368 ACI-IMPBio
EDMon v3 EDMON v3

Endocrine Disruptor MONitoring

Computational tool to study interactions between nuclear hormone receptors and endocrine-disrupting chemicals

Delfosse V et al, PNAS, 109, 14930-5 (2012) - Doi : 10.1073/pnas.1203574109 ANR BISCOT
CoSiAn

Combinatorial Similarity Analysis

Tool for similarity analysis between a reference ligand and a bank of ligands to screen, using a combination of 2D and 3D similarity tools

Reys V, Moreau V, Pons J-L, Labesse G
CBE database Visualizer Tool to visualize Protein Chain/Ligand contacts in PDB file (Ligand can be small molecule, sugar, nucleic acid or peptide) Pons J-L and Labesse G
KinDOCK Ligand Transposition Server: comparative docking of ligands into the ATP-binding site of a protein kinase (target) Martin L, Catherinot V, Labesse G, NAR Web Server, issue:34 W325-W329 (2006) La Ligue contre le cancer
SimDOCK Ligand Transposition Server: 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 and Labesse G La Ligue contre le cancer
LEA3D Computer-Aided Ligand Design for Structure-Based Drug Design Douguet D, Munier-Lehmann H, Labesse G and Pochet S J, J Med Chem, 48(7), 2457-68 (2005)
TSA-CRAFT Thermal Shift Analysis Lee PH, Huang XX, Teh BT, Ng LM. SLAS Discov. 2019;24(5):606-612.
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