Please cite these publications when you publish results related to this web server


Shape-based alignment program SENSAAS:

Douguet D. and Payan F., SenSaaS: Shape-based Alignment by Registration of Colored Point-based Surfaces, Molecular Informatics, 2020, 8, 2000081.

doi: 10.1002/minf.202000081


e-Drug3D:


LEA3D / e-LEA3D:



RDKit Open-Source Cheminformatics Software for 2D to 3D conversion and conformer generation:

Riniker S. and Landrum G. A., Better informed distance geometry: Using what we knowto improve conformation generation,J. Chem. Inf. Model., 2015, 55, 2562:2574.

doi: 10.1021/acs.jcim.5b00654



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.

doi: 10.1021/ci800298z



PDB2PQR (version 1.6) program :

Dolinsky TJ, Nielsen JE, McCammon JA, Baker NA. PDB2PQR: an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations. Nucleic Acids Research, 32, W665-W667, 2004.

doi: 10.1093/nar/gkh381