COBRAMM

COBRAMM is a suite programs for molecular modelling.

It is developed at the Chemistry Department "G. Ciamician" of the University of Bologna by Dr. Marco Stenta and Dr. Piero Altoè under the supervision of Prof. Andrea Bottoni and Dr. Marco Garavelli.

What COBRAMM stands for?

COmputations at Bologna Relating "Ab-initio" and Molecular mechanics Methods
COmputational BRidge between Ab-initio and Molecular mechanics Methods
COBRAM was Built to Run Ab-initio and Molecular mechanics Methods

What COBRAMM can do?

The core of the original suite was program able to perform calculations using an hybrid Quantum Mechanical/Molecular Mechanical (QM/MM) hybrid potential.
Now COBRAMM can act as a flexible computational environment, able to integrate several existing molecular modelling software, in order to exploit the strong points of each one.

References

Method description
* [http://dx.doi.org/10.1007/s00214-007-0275-9 ] cite journal | author = Altoè P, Stenta M, Bottoni A, Garavelli M. | date = 2007 | title = A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction | journal = Theor. Chem. Acc. | volume = 118| pages = 219–240 | doi = 10.1007/s00214-007-0275-9

Applications (Enzyme Studies)
* [http://dx.doi.org/10.1021/jp7104105] cite journal | author = Stenta M, Calvaresi M, Altoè P, Spinelli D, Garavelli M and Bottoni A | date = 2008 | title = The Catalytic Activity of Proline Racemase: A Quantum Mechanical/Molecular Mechanical Study | journal = J. Chem. Phys. B | volume = 112 |issue = 4| pages = 1057–1059 | doi = 10.1021/jp7104105

Applications (Organic Chemistry Studies)

Applications (Pysical Chemistry Studies)