On Quantum Theory, Drug Discovery, and Life Sciences Ecosystem in Spain: Interview with Dr. Enric Gibert

In contrast to molecular mechanics, which describes molecules as essentially “balls and sticks” kind of objects, taking into account only geometric parameters and repulsion/attraction between atoms, quantum mechanics describes molecules on a sub-atomic level, taking into account the electronic nature of atoms and bonds. While molecular mechanics is a reasonably practical simplified paradigm that can address many questions about biology and chemistry, quantum mechanics is the only way to be able to truly understand and model the systems and processes the way it reflects reality “at a resolution of electrons.”  Because chemical reactions are about electron transfer, quantum mechanics is the ultimate way to “model everything.” The problem with quantum mechanics is that it is a tremendously computationally-expensive thing to implement.

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