The biotech company is accelerating protein biotechnology research thanks to its Protein Engineering Operating System (PeOS), which uses state of the art computational molecular physics orchestrated by AI.
Oppenheimer
Target - Binder Design Process
Interaction
mapping
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Energy
landscape
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Evolutionary
Forces
We compute the energies of different structural states of the protein. The lower the energy the better optimized our protein is.
Protein folding represents an open question in science, and the free-energy landscape framework is one way to describe it. In particular, the role played by water in the processes is of special interest. To clarify these issues we study, during folding–unfolding, the temperature evolution of the magnetization for hydrophilic and hydrophobic groups of hydrated lysozyme using NMR spectroscopy.
Our findings confirm the validity of the theoretical scenario of a process dominated by different energetic routes, also explaining the water role in the protein configuration stability. We also highlight that the protein native state limit is represented by the water singular temperature that characterizes its compressibility and expansivity and is the origin of the thermodynamical anomalies of its liquid state.
Ensamble
Dynamics
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