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Vinícius Cruzeiro explores computational/theoretical chemistry aiming at accurately describing the behavior of proteins, biomolecules, and related systems using molecular simulations, quantum mechanics, and machine learning representations. This research digs into fundamental aspects of nature at the intersection of physics, chemistry, and biology. The knowledge gained is employed to complement experiments (that cannot achieve atomic detail) and can drive the design of new materials and pharmaceutical applications, such as in drug discovery. Dr. Cruzeiro actively collaborates with experimentalists and other theoretical researchers.Dr. Cruzeiro is part of the Amber developer’s team. He has participated in developing different methodologies, including molecular simulations with coupled electrochemical and pH effects, enhanced sampling techniques, and quantum mechanics/molecular mechanics approaches. Amber is a popular software package for molecular simulations used by several research groups worldwide.