Person in charge: Prof. ssa Laura Bonati
Location: U1, ground floor, room T009
The lab is the venue of Molecular Modeling research group since 2006, the group uses the computational resources here located. The main research activity is the computational approach to study proteins and small molecules at a molecular level.
a) Open source
Modeller: proteins secondary structure prediction by Homology Modelling;
T-Coffee, DALILite, Seaview, and DSSP: for proteins sequence and structure analysis.
Gromacs: Molecular Dynamics simulations.
Pymol and VMD: visualization of molecular structures and dynamics simulations.
R: statistical treatment of data.
Schrödinger LLC Suite (Maestro, MacroModel, Glide, Prime, etc.), visualization of molecular structures; tools for Molecular Modeling, Molecular Docking, etc.
Amber: Molecular Dynamics simulations on GPU.
Matlab (MathWorks), statistical treatment of data.
Moreover ad hoc tools and scripts are developed to treat data derived from bioinformatics and Molecular Modeling analysis in Python and Bash.