Hellenic Pasteur Institute  |   In silico structural studies and analyses
 
DESCRIPTION
Docking studies, pharmacophore modelling, etc.
Hellenic Pasteur Institute
LOCATION:   Athens, Greece | https://www.pasteur.gr/en/
RELEVANT STAFF:   Stathis Kotsakis , Vivi Miriagou
SERVICE DETAILS:  

In silico structural analyses can be performed at the HPIs computing center through the services offered by the Laboratory of Bacteriology.

RELEVANT EQUIPMENT:  
RELEVANT EXPERTISE:  

Available methods and programs are: Molecular Dynamics (Free Energy Perturbation and Umbrella Sampling) through the GROMACS package, small molecule parameterization for the Amber family of force fields using quantum mechanical simulations (Amber and ORCA packages), docking simulations using HADDOCK and AUTODOCK and model building through MODELLER.