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1. MOAD_ligandFinder MOAD_ligandFinder Public

   A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. T…

   Python 14 4

2. solventExposed solventExposed Public

   A script based on NanoShaper protein surface software returning the list of atoms and residues solvent exposed (or according to a user defined probe radius)

   Python 2 1

3. codes_thesis codes_thesis Public

   Raw fortran codes used to produce most of the results of my PhD thesis

   Fortran

4. KMC_pattern KMC_pattern Public

   Kinetic MC code describing the evolution of a two phases system: a solid cluster and a cloud of mobile units.

   C++

5. pickPocket pickPocket Public

   An ad-hoc hierarchical clustering algorithm able to extract and rank pockets. Extraction is based on geometrical primitives generated by the NanoShaper molecular surface software. The ranking is ba…

   Python

6. NS_pocket NS_pocket Public

   Python interface for the pocket detection method of the NanoShaper software with volume ranking

   Python 1