e-LEA3D: ChemInformatic Tools and Databases
Please cite these publications when you publish results related to this server:


Data sets (Chemical structures, Pharmacokinetic, Pharmacodynamic and Registration data):

Data sets representative of the Structures and Experimental Properties of FDA-approved Drugs, Douguet D., ACS Med Chem Lett., 2018, 9(3):204-209.

International Protection of author's rights:

Inter Deposit Digital Number IDDN.FR.001.240001.000.S.P.2017.000.31235


Pihan E., Colliandre L., Guichou J.-F. and Douguet D., e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design, Bioinformatics,28[11]:1540-1, 2012 (doi: 10.1093/bioinformatics/bts186)



Douguet D., e-LEA3D: a computational-aided drug design web server, Nucleic Acids Research, 38(Web Server issue):W615-21, 2010. (doi:10.1093/nar/gkq322)


Douguet D, Munier-Lehmann H, Labesse G, Pochet S., LEA3D: a computer-aided ligand design for structure-based drug design, J Med Chem., 48(7), 2457-68, 2005.

The docking program PLANTS:

Korb O, Stützle T, Exner TE., Empirical scoring functions for advanced protein-ligand docking with PLANTS. J Chem Inf Model., 49(1), 84-96, 2009.

The small molecule conformer generator Frog2:

Miteva MA, Guyon F, Tufféry P., Frog2: Efficient 3D conformation ensemble generator for small compounds. Nucleic Acids Research,38(Web Server issue):W622-7, 2010.


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