CORDIS Project
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This project focuses on enhancing molecular simulation methods to better predict protein interactions with material surfaces, crucial for advancements in bionanotechnology and biomedical engineering. By modifying the LAMMPS simulation program to include an interfacial force field, it aims to improve the accuracy of sim…
The ability to understand and predict the interactions between proteins and material surfaces represents a critical need for many applications in bionanotechnology and biomedical engineering.
Empirical force field molecular simulation methods have the potential to provide this capability, with the European community currently leading the world in this area of research.
However, methods have not yet been developed to adequately support these types of simulations.
For these simulations, an ideal p…
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