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Molecular dynamics simulation of bio-fullerene interfaces
Molecular Dynamics (MD) simulations were employed to study the interaction of fullerene molecules in biological environments. Initial work considers the interaction of peptides with fullerene, where a fullerene specific ...
Crystallographic refinement of thermal parameters using normal modes
We have developed a software package that models the anisotropic temperature factors of protein structures derived from crystallographic data using normal mode vectors. We hypothesize that the intrinsic flexibility of a ...