3rd COBO School: Multiscale Molecular Simulations

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COBO - Computational Bio- Organic chemistry Bogotá

The Computational Bio- Organic Chemistry Bogotá (COBO) group is mainly dedicated to the computational study of organic and biochemical reactions, proteins behavior and drug discovery/design.

Our former area of research is aimed at determining reaction mechanisms by means of Quantum Mechanics (QM) and hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) methods. This type of study can provide valuable information on the electronic and steric factors that control the energetic and stereochemical development of a reaction and that is often difficult to obtain with experimental techniques. The results can be used to support or rule out mechanistic hypotheses, predict reactivity and design new and better reagents, catalysts or enzyme inhibitors.

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