Partners
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Dr Michel Petitjean * ARMS: Spatial Alignment with the RMS (Root Mean Square) method. (fixed pairwise correspondence) * ASV: Analytical calculation of van der Waals surfaces and volumes. * CSR: The Combined SDM/RMS Algorithm for spatial alignment of two molecules. (pairwise correspondence computed) * DOG: Docking Geometrically two molecules. (fixed pairwise correspondence) * POP: Optimal Partition (classification). The number of classes is computed. * QCM: Quantitative Chirality Measure of a conformer (graph automorphisms enumeration included) * RADI, RADI2: Computation of the Radius and Diameter of a spatial set. (computes also various other geometrical parameters) Dr. Petitjean FREEWARE |
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Dr Bruno Villoutreix Dr Pierre Tuffery RPBS: The RPBS platform and the Inserm MTi team provide assistance and services, upon request, for ADME/Tox filtering, 3D conformation generation via enhanced versions of FAF-Drugs and Frog (http://bioserv.rpbs.jussieu.fr/) and in silico screening. Please contact Pierre Tuffery at ebgm.jussieu.fr or BrunoVilloutreix at univ-paris5.fr http://bioserv.rpbs.jussieu.fr/ |
